[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C17H12F3N3O7 MolecularWeight: 427.28829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O7/c1-9-13(22(26)27)5-10(6-14(9)23(28)29)16(25)30-8-15(24)21-12-4-2-3-11(7-12)17(18,19)20/h2-7H,8H2,1H3,(H,21,24)