2-[2-[5-bromanyl-2-(methylamino)phenyl]-3-oxidanylidene-2H-benzo[g]quinoxalin-4-ium-4-yl]ethanoic acid

Systemtic Name: 2-[2-[5-bromanyl-2-(methylamino)phenyl]-3-oxidanylidene-2H-benzo[g]quinoxalin-4-ium-4-yl]ethanoic acid Openeye Name: 2-[2-[5-bromo-2-(methylamino)phenyl]-3-oxo-2H-benzo[g]quinoxalin-4-ium-4-yl]acetic acid CAS Name: 2-[2-[5-bromo-2-(methylamino)phenyl]-3-oxo-2H-benzo[g]quinoxalin-4-ium-4-yl]acetic acid IUPAC Name: 2-[2-[5-bromo-2-(methylamino)phenyl]-3-oxo-2H-benzo[g]quinoxalin-4-ium-4-yl]acetic acid Traditional Name: 2-[2-[5-bromo-2-(methylamino)phenyl]-3-keto-2H-benzo[g]quinoxalin-4-ium-4-yl]acetic acid Formula: C21H17BrN3O3+ MolecularWeight: 439.28198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)Br)C2C(=O)[N+](=C3C=C4C=CC=CC4=CC3=N2)CC(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)Br)C2C(=O)[N+](=C3C=C4C=CC=CC4=CC3=N2)CC(=O)O

InChI

InChI=1S/C21H16BrN3O3/c1-23-16-7-6-14(22)10-15(16)20-21(28)25(11-19(26)27)18-9-13-5-3-2-4-12(13)8-17(18)24-20/h2-10,20,23H,11H2,1H3/p+1