(3,7-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3,7-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3,7-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3,7-dimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-keto-3,7-dimethyl-4-oxido-quinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C)[O-]

InChI

InChI=1S/C21H21N5O5/c1-14-3-8-18-19(13-14)25(29)20(15(2)24(18)28)21(27)23-11-9-22(10-12-23)16-4-6-17(7-5-16)26(30)31/h3-8,13H,9-12H2,1-2H3