[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5/c23-13-15-5-1-2-6-18(15)19-7-3-4-8-20(19)22(27)30-14-21(26)24-16-9-11-17(12-10-16)25(28)29/h1-12H,14H2,(H,24,26)