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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-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=CC(=C(C=C2)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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