[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H18N2O4/c1-11-3-5-13(6-4-11)15(20)7-8-17(22)23-10-16(21)14(9-18)12(2)19/h3-6H,7-8,10,19H2,1-2H3/b14-12+