[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethyloxy)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H13F3N2O6/c1-10(15(23)21-12-3-2-4-13(9-12)22(25)26)27-16(24)11-5-7-14(8-6-11)28-17(18,19)20/h2-10H,1H3,(H,21,23)