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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]phenyl] ester Formula: C23H14ClN3O5 MolecularWeight: 447.82736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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