3-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]imidazole-4-carboxylic acid CAS Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]imidazole-4-carboxylic acid Traditional Name: 3-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]imidazole-4-carboxylic acid Formula: C13H9BrN4O4 MolecularWeight: 365.13896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=NC=C3C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=NC=C3C(=O)O)Br

InChI

InChI=1S/C13H9BrN4O4/c14-7-1-6(4-18-5-15-3-9(18)13(21)22)10-8(2-7)16-11(19)12(20)17-10/h1-3,5H,4H2,(H,16,19)(H,17,20)(H,21,22)