2-[3-[5-bromanyl-2-(methylamino)phenyl]-2-oxidanylidene-3H-quinoxalin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[5-bromanyl-2-(methylamino)phenyl]-2-oxidanylidene-3H-quinoxalin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[5-bromo-2-(methylamino)phenyl]-2-oxo-3H-quinoxalin-1-ium-1-yl]acetic acid CAS Name: 2-[3-[5-bromo-2-(methylamino)phenyl]-2-oxo-3H-quinoxalin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-[5-bromo-2-(methylamino)phenyl]-2-oxo-3H-quinoxalin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-[5-bromo-2-(methylamino)phenyl]-2-keto-3H-quinoxalin-1-ium-1-yl]acetic acid Formula: C17H15BrN3O3+ MolecularWeight: 389.2233

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)Br)C2C(=O)[N+](=C3C=CC=CC3=N2)CC(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)Br)C2C(=O)[N+](=C3C=CC=CC3=N2)CC(=O)O

InChI

InChI=1S/C17H14BrN3O3/c1-19-12-7-6-10(18)8-11(12)16-17(24)21(9-15(22)23)14-5-3-2-4-13(14)20-16/h2-8,16,19H,9H2,1H3/p+1