[4-[(E)-2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H13FN4O7 MolecularWeight: 476.370323

Click to see the large picture

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=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H13FN4O7/c24-19-10-7-16(27(31)32)12-20(19)26-22(29)15(13-25)11-14-5-8-17(9-6-14)35-23(30)18-3-1-2-4-21(18)28(33)34/h1-12H,(H,26,29)/b15-11+