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

Systemtic Name: 1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]-2H-pyridine-3-carboxylic acid Openeye Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-pyridine-3-carboxylic acid CAS Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-pyridine-3-carboxylic acid IUPAC Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-pyridine-3-carboxylic acid Traditional Name: 1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-pyridine-3-carboxylic acid Formula: C15H12BrN3O4 MolecularWeight: 378.17748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CN1CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)C(=O)O

Isomeric SMILES

C1C(=CC=CN1CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)C(=O)O

InChI

InChI=1S/C15H12BrN3O4/c16-10-4-9(7-19-3-1-2-8(6-19)15(22)23)12-11(5-10)17-13(20)14(21)18-12/h1-5H,6-7H2,(H,17,20)(H,18,21)(H,22,23)