6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile

Systemtic Name: 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile Openeye Name: 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxido-4-oxo-quinoxalin-4-ium-2-carbonitrile CAS Name: 6,7-dimethyl-3-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxido-4-oxo-2-quinoxalin-4-iumcarbonitrile IUPAC Name: 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile Traditional Name: 4-keto-6,7-dimethyl-3-[4-(4-nitrophenyl)piperazino]-1-oxido-quinoxalin-4-ium-2-carbonitrile Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c1-14-11-18-19(12-15(14)2)26(29)21(20(13-22)25(18)28)24-9-7-23(8-10-24)16-3-5-17(6-4-16)27(30)31/h3-6,11-12H,7-10H2,1-2H3