[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)CC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1C(=O)N(C)CC2=CC=CC=C2)/N

InChI

InChI=1S/C22H21N3O4/c1-15(24)19(12-23)20(26)14-29-22(28)18-11-7-6-10-17(18)21(27)25(2)13-16-8-4-3-5-9-16/h3-11H,13-14,24H2,1-2H3/b19-15+