[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C17H14F3N3O6 MolecularWeight: 413.30477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H14F3N3O6/c1-28-14-5-3-10(23(26)27)7-13(14)22-15(24)8-29-16(25)11-4-2-9(6-12(11)21)17(18,19)20/h2-7H,8,21H2,1H3,(H,22,24)