[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H12F3N3O5 MolecularWeight: 383.27879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O5/c17-16(18,19)9-4-5-12(13(20)6-9)15(24)27-8-14(23)21-10-2-1-3-11(7-10)22(25)26/h1-7H,8,20H2,(H,21,23)