[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate CAS Name: 2-[2-(4-chlorophenyl)ethylamino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate Traditional Name: 2-[2-(4-chlorophenyl)ethylamino]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1NCCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1NCCC2=CC=C(C=C2)Cl)/N

InChI

InChI=1S/C21H20ClN3O3/c1-14(24)18(12-23)20(26)13-28-21(27)17-4-2-3-5-19(17)25-11-10-15-6-8-16(22)9-7-15/h2-9,25H,10-11,13,24H2,1H3/b18-14+