[2-oxidanylidene-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] ester IUPAC Name: [2-oxo-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(trifluoromethyl)-1H-benz[g]indol-3-yl] ester Formula: C20H10F3N3O7 MolecularWeight: 461.30451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2NC(=O)C3(C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2NC(=O)C3(C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H10F3N3O7/c21-20(22,23)19(15-6-5-10-3-1-2-4-14(10)16(15)24-18(19)28)33-17(27)11-7-12(25(29)30)9-13(8-11)26(31)32/h1-9H,(H,24,28)