AI61316
915369-16-3 | Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI61316
ChemicalName
Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate
CasNumber
915369-16-3
MolecularFormula
C15H16N4O5
MolecularWeight
332.3113
MdlNumber
MFCD28991955
Smiles
CCOC(=O)C(C=Nc1ccc(cc1C(=O)N(C)C)[N+](=O)[O-])C#N
Complexity
560
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AI61316
ChemicalName: Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate
CasNumber: 915369-16-3
MolecularFormula: C15H16N4O5
MolecularWeight: 332.3113
MdlNumber: MFCD28991955
Smiles: CCOC(=O)C(C=Nc1ccc(cc1C(=O)N(C)C)[N+](=O)[O-])C#N
Complexity: 560
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AI61316
ChemicalName:
Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate
CasNumber:
915369-16-3
MolecularFormula:
C15H16N4O5
MolecularWeight:
332.3113
MdlNumber:
MFCD28991955
Smiles:
CCOC(=O)C(C=Nc1ccc(cc1C(=O)N(C)C)[N+](=O)[O-])C#N
Complexity:
560
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: COC(=O)c1cnc(nc1C)C(F)(F)F
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COC(=O)c1cnc(nc1C)C(F)(F)F
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Smiles: COCCOCCOCCP(=O)(OCC)OCC
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COCCOCCOCCP(=O)(OCC)OCC
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Smiles: COC(=O)CCc1cccc2c1[nH]cc2
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)CCc1cccc2c1[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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