2-[[1-[4-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrol-3-yl]methyl]-1-phenyl-guanidine

Systemtic Name: 2-[[1-[4-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrol-3-yl]methyl]-1-phenyl-guanidine Openeye Name: 2-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-1-phenyl-guanidine CAS Name: 2-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)-3-pyrrolyl]methyl]-1-phenylguanidine IUPAC Name: 2-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-1-phenylguanidine Traditional Name: 2-[[1-(4-cyclohexyl-2,3-diketo-7-nitro-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-1-phenyl-guanidine Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CN=C(N)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CN=C(N)NC5=CC=CC=C5

InChI

InChI=1S/C26H27N7O4/c27-26(29-18-7-3-1-4-8-18)28-15-17-11-12-31(16-17)22-14-21-20(13-23(22)33(36)37)30-24(34)25(35)32(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,30,34)(H3,27,28,29)