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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C21H19N3O4/c1-13-6-5-7-15(10-13)20(26)24-18-9-4-3-8-16(18)21(27)28-12-19(25)17(11-22)14(2)23/h3-10H,12,23H2,1-2H3,(H,24,26)/b17-14+