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

Systemtic Name: [4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H16FN3O6 MolecularWeight: 461.398743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

Isomeric SMILES

COC1=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

InChI

InChI=1S/C24H16FN3O6/c1-33-19-9-4-16(5-10-19)24(30)34-20-7-2-15(3-8-20)12-17(14-26)23(29)27-22-13-18(28(31)32)6-11-21(22)25/h2-13H,1H3,(H,27,29)