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

Systemtic Name: [4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14ClN3O5 MolecularWeight: 447.82736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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