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

Systemtic Name: 1-[4-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid Openeye Name: 1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrole-3-carboxylic acid CAS Name: 1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrole-3-carboxylic acid Traditional Name: 1-(4-cyclohexyl-2,3-diketo-7-nitro-1H-quinoxalin-6-yl)pyrrole-3-carboxylic acid Formula: C19H18N4O6 MolecularWeight: 398.36942

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6/c24-17-18(25)22(12-4-2-1-3-5-12)14-9-15(16(23(28)29)8-13(14)20-17)21-7-6-11(10-21)19(26)27/h6-10,12H,1-5H2,(H,20,24)(H,26,27)