[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C18H12F6N2O5 MolecularWeight: 450.288699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F6N2O5/c1-9-2-3-13(14(4-9)26(29)30)25-15(27)8-31-16(28)10-5-11(17(19,20)21)7-12(6-10)18(22,23)24/h2-7H,8H2,1H3,(H,25,27)