1-[3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone

Systemtic Name: 1-[3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone Openeye Name: 1-[3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]ethanone CAS Name: 1-[3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]ethanone IUPAC Name: 1-[3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone Traditional Name: 1-[1-keto-3-[[4-(4-nitrophenyl)piperazino]methyl]-4-oxido-quinoxalin-1-ium-2-yl]ethanone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-15(27)21-20(24(28)18-4-2-3-5-19(18)25(21)29)14-22-10-12-23(13-11-22)16-6-8-17(9-7-16)26(30)31/h2-9H,10-14H2,1H3