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

Systemtic Name: methyl 1-[4-(2-ethylbutyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-2-carboxylate Openeye Name: methyl 1-[4-(2-ethylbutyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-2-carboxylate CAS Name: 1-[4-(2-ethylbutyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2-ethylbutyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-2-carboxylate Traditional Name: 1-[4-(2-ethylbutyl)-2,3-diketo-7-nitro-1H-quinoxalin-6-yl]pyrrole-2-carboxylic acid methyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC=C3C(=O)OC

Isomeric SMILES

CCC(CC)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC=C3C(=O)OC

InChI

InChI=1S/C20H22N4O6/c1-4-12(5-2)11-23-15-10-16(22-8-6-7-14(22)20(27)30-3)17(24(28)29)9-13(15)21-18(25)19(23)26/h6-10,12H,4-5,11H2,1-3H3,(H,21,25)