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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H12F3N3O5 MolecularWeight: 383.27879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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