4-[4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[4-(4-methyl-1-piperazin-4-iumyl)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C20H21N6O6+ MolecularWeight: 441.41734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O6/c1-22-6-8-23(9-7-22)19-16(25(29)30)10-13(11-17(19)26(31)32)20(28)24-12-18(27)21-14-4-2-3-5-15(14)24/h2-5,10-11H,6-9,12H2,1H3,(H,21,27)/p+1