[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H12F6N2O5 MolecularWeight: 450.288699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F6N2O5/c1-9(15(27)25-13-3-2-4-14(8-13)26(29)30)31-16(28)10-5-11(17(19,20)21)7-12(6-10)18(22,23)24/h2-9H,1H3,(H,25,27)