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

Systemtic Name: 1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]-1-methyl-pyrrol-1-ium-2-carboxylic acid Openeye Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-1-methyl-pyrrol-1-ium-2-carboxylic acid CAS Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-1-methyl-2-pyrrol-1-iumcarboxylic acid IUPAC Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-1-methylpyrrol-1-ium-2-carboxylic acid Traditional Name: 1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]-1-methyl-pyrrol-1-ium-2-carboxylic acid Formula: C15H13BrN3O4+ MolecularWeight: 379.18542

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC=C1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

Isomeric SMILES

C[N+]1(C=CC=C1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

InChI

InChI=1S/C15H12BrN3O4/c1-19(4-2-3-11(19)15(22)23)7-8-5-9(16)6-10-12(8)18-14(21)13(20)17-10/h2-6H,7H2,1H3,(H2-,17,18,20,21,22,23)/p+1