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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(2-oxo-2-phenyl-acetyl)benzoate CAS Name: 4-(1,2-dioxo-2-phenylethyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(2-oxo-2-phenylacetyl)benzoate Traditional Name: 4-(2-keto-2-phenyl-acetyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5/c1-13(23)17(11-22)18(24)12-28-21(27)16-9-7-15(8-10-16)20(26)19(25)14-5-3-2-4-6-14/h2-10H,12,23H2,1H3/b17-13+