[2-oxidanylidene-1-phenyl-3-(trifluoromethyl)indol-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-1-phenyl-3-(trifluoromethyl)indol-3-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-1-phenyl-3-(trifluoromethyl)indolin-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-1-phenyl-3-(trifluoromethyl)-3-indolyl] ester IUPAC Name: [2-oxo-1-phenyl-3-(trifluoromethyl)indol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-1-phenyl-3-(trifluoromethyl)indolin-3-yl] ester Formula: C22H12F3N3O7 MolecularWeight: 487.34179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H12F3N3O7/c23-22(24,25)21(35-19(29)13-10-15(27(31)32)12-16(11-13)28(33)34)17-8-4-5-9-18(17)26(20(21)30)14-6-2-1-3-7-14/h1-12H