[3-cyano-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [3-cyano-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enyl] 2-(phenylcarbonyl)benzoate Openeye Name: [4-(benzylamino)-3-cyano-4-hydroxy-2-oxo-but-3-enyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [3-cyano-4-hydroxy-2-oxo-4-[(phenylmethyl)amino]but-3-enyl] ester IUPAC Name: [4-(benzylamino)-3-cyano-4-hydroxy-2-oxobut-3-enyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [4-(benzylamino)-3-cyano-4-hydroxy-2-keto-but-3-enyl] ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C26H20N2O5/c27-15-22(25(31)28-16-18-9-3-1-4-10-18)23(29)17-33-26(32)21-14-8-7-13-20(21)24(30)19-11-5-2-6-12-19/h1-14,28,31H,16-17H2