3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-7-(trifluoromethyl)-1H-quinoxalin-2-one; ethanoic acid

Systemtic Name: 3-[1-(3-azanylpropyl)-6-nitro-indol-3-yl]-7-(trifluoromethyl)-1H-quinoxalin-2-one; ethanoic acid Openeye Name: acetic acid; 3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-7-(trifluoromethyl)-1H-quinoxalin-2-one CAS Name: acetic acid; 3-[1-(3-aminopropyl)-6-nitro-3-indolyl]-7-(trifluoromethyl)-1H-quinoxalin-2-one IUPAC Name: acetic acid; 3-[1-(3-aminopropyl)-6-nitroindol-3-yl]-7-(trifluoromethyl)-1H-quinoxalin-2-one Traditional Name: acetic acid; 3-[1-(3-aminopropyl)-6-nitro-indol-3-yl]-7-(trifluoromethyl)-1H-quinoxalin-2-one Formula: C22H20F3N5O5 MolecularWeight: 491.41991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN

Isomeric SMILES

CC(=O)O.C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCN

InChI

InChI=1S/C20H16F3N5O3.C2H4O2/c21-20(22,23)11-2-5-15-16(8-11)26-19(29)18(25-15)14-10-27(7-1-6-24)17-9-12(28(30)31)3-4-13(14)17;1-2(3)4/h2-5,8-10H,1,6-7,24H2,(H,26,29);1H3,(H,3,4)