[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C23H19FN2O6 MolecularWeight: 438.405163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

InChI

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