[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C17H12F3N3O6 MolecularWeight: 411.28889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O6/c18-17(19,20)13-7-2-1-6-12(13)16(26)29-9-14(24)21-22-15(25)10-4-3-5-11(8-10)23(27)28/h1-8H,9H2,(H,21,24)(H,22,25)