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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(phenylmethyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1CC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1CC2=CC=CC=C2)/N

InChI

InChI=1S/C20H18N2O3/c1-14(22)18(12-21)19(23)13-25-20(24)17-10-6-5-9-16(17)11-15-7-3-2-4-8-15/h2-10H,11,13,22H2,1H3/b18-14+