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

Systemtic Name: methyl 1-[1-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-6-yl]pyrrole-2-carboxylate Openeye Name: methyl 1-(1-cyclohexyl-7-nitro-2,3-dioxo-4H-quinoxalin-6-yl)pyrrole-2-carboxylate CAS Name: 1-(1-cyclohexyl-7-nitro-2,3-dioxo-4H-quinoxalin-6-yl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-cyclohexyl-7-nitro-2,3-dioxo-4H-quinoxalin-6-yl)pyrrole-2-carboxylate Traditional Name: 1-(1-cyclohexyl-2,3-diketo-7-nitro-4H-quinoxalin-6-yl)pyrrole-2-carboxylic acid methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN1C2=C(C=C3C(=C2)NC(=O)C(=O)N3C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CN1C2=C(C=C3C(=C2)NC(=O)C(=O)N3C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-30-20(27)14-8-5-9-22(14)16-10-13-15(11-17(16)24(28)29)23(19(26)18(25)21-13)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,21,25)