methyl 4-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C20H17N3O4/c1-13(24)22-17-7-9-18(10-8-17)23-19(25)16(12-21)11-14-3-5-15(6-4-14)20(26)27-2/h3-11H,1-2H3,(H,22,24)(H,23,25)/b16-11+