2-(6,8-dimethyl-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoic acid

Systemtic Name: 2-(6,8-dimethyl-4-oxidanylidene-1H-cinnolin-2-ium-2-yl)ethanoic acid Openeye Name: 2-(6,8-dimethyl-4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid CAS Name: 2-(6,8-dimethyl-4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid IUPAC Name: 2-(6,8-dimethyl-4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid Traditional Name: 2-(4-keto-6,8-dimethyl-1H-cinnolin-2-ium-2-yl)acetic acid Formula: C12H13N2O3+ MolecularWeight: 233.24322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=[N+](N2)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=[N+](N2)CC(=O)O)C

InChI

InChI=1S/C12H12N2O3/c1-7-3-8(2)12-9(4-7)10(15)5-14(13-12)6-11(16)17/h3-5H,6H2,1-2H3,(H-,13,15,16,17)/p+1