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

Systemtic Name: [2-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14ClN3O6 MolecularWeight: 463.82676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H14ClN3O6/c24-17-7-5-14(6-8-17)23(30)33-21-4-2-1-3-15(21)11-16(13-25)22(29)26-19-10-9-18(27(31)32)12-20(19)28/h1-12,28H,(H,26,29)/b16-11+