6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-ium-1-ylidene]-4-oxidanyl-1-oxidanylidene-2H-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-ium-1-ylidene]-4-oxidanyl-1-oxidanylidene-2H-quinoxalin-1-ium-2-carbonitrile Openeye Name: 4-hydroxy-6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-ium-1-ylidene]-1-oxo-2H-quinoxalin-1-ium-2-carbonitrile CAS Name: 4-hydroxy-6,7-dimethyl-3-[4-(4-nitrophenyl)-1-piperazin-1-iumylidene]-1-oxo-2H-quinoxalin-1-ium-2-carbonitrile IUPAC Name: 4-hydroxy-6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-ium-1-ylidene]-1-oxo-2H-quinoxalin-1-ium-2-carbonitrile Traditional Name: 4-hydroxy-1-keto-6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-ium-1-ylidene]-2H-quinoxalin-1-ium-2-carbonitrile Formula: C21H22N6O4+2 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(C(=[N+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N2O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(C(=[N+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N2O)C#N

InChI

InChI=1S/C21H22N6O4/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/h3-6,11-12,20,29H,7-10H2,1-2H3/q+2