ethyl 4-(5-azanyl-4-cyano-2-oxidanylidene-3H-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(5-azanyl-4-cyano-2-oxidanylidene-3H-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-(5-amino-4-cyano-2-oxo-3H-pyrrol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-2-oxo-3H-pyrrol-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-amino-4-cyano-2-oxo-3H-pyrrol-1-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-5-keto-2-pyrrolin-1-yl)benzoic acid ethyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=C2N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=C2N)C#N

InChI

InChI=1S/C14H13N3O3/c1-2-20-14(19)9-3-5-11(6-4-9)17-12(18)7-10(8-15)13(17)16/h3-6H,2,7,16H2,1H3