ethyl 4-(3-azanyl-4-cyano-2-ethanoyl-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(3-azanyl-4-cyano-2-ethanoyl-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-(2-acetyl-3-amino-4-cyano-pyrrol-1-yl)benzoate CAS Name: 4-(2-acetyl-3-amino-4-cyano-1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-acetyl-3-amino-4-cyanopyrrol-1-yl)benzoate Traditional Name: 4-(2-acetyl-3-amino-4-cyano-pyrrol-1-yl)benzoic acid ethyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C(=C2C(=O)C)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C(=C2C(=O)C)N)C#N

InChI

InChI=1S/C16H15N3O3/c1-3-22-16(21)11-4-6-13(7-5-11)19-9-12(8-17)14(18)15(19)10(2)20/h4-7,9H,3,18H2,1-2H3