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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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