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

Systemtic Name: 6-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carbonitrile Openeye Name: 6-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxido-1-oxo-quinoxalin-1-ium-2-carbonitrile CAS Name: 6-methoxy-3-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxido-1-oxo-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 6-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile Traditional Name: 1-keto-6-methoxy-3-[4-(4-nitrophenyl)piperazino]-4-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N6O5/c1-31-16-6-7-17-18(12-16)25(28)20(19(13-21)24(17)27)23-10-8-22(9-11-23)14-2-4-15(5-3-14)26(29)30/h2-7,12H,8-11H2,1H3