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

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C16H11F4N3O5 MolecularWeight: 401.269253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H11F4N3O5/c17-11-4-2-9(23(26)27)6-13(11)22-14(24)7-28-15(25)10-3-1-8(5-12(10)21)16(18,19)20/h1-6H,7,21H2,(H,22,24)