[4-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14ClN3O5 MolecularWeight: 447.82736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H14ClN3O5/c24-18-6-8-19(9-7-18)26-22(28)17(14-25)12-15-4-10-21(11-5-15)32-23(29)16-2-1-3-20(13-16)27(30)31/h1-13H,(H,26,28)/b17-12+