[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate CAS Name: 2-[(4-fluorophenyl)methoxy]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 2-(4-fluorobenzyl)oxybenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C23H19FN2O6 MolecularWeight: 438.405163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN2O6/c1-15-6-11-18(12-20(15)26(29)30)25-22(27)14-32-23(28)19-4-2-3-5-21(19)31-13-16-7-9-17(24)10-8-16/h2-12H,13-14H2,1H3,(H,25,27)