2-(carboxymethyl)-6,8-dimethyl-cinnolin-2-ium-4-olate

Systemtic Name: 2-(carboxymethyl)-6,8-dimethyl-cinnolin-2-ium-4-olate Openeye Name: 2-(carboxymethyl)-6,8-dimethyl-cinnolin-2-ium-4-olate CAS Name: 2-(carboxymethyl)-6,8-dimethyl-4-cinnolin-2-iumolate IUPAC Name: 2-(carboxymethyl)-6,8-dimethylcinnolin-2-ium-4-olate Traditional Name: 2-(carboxymethyl)-6,8-dimethyl-cinnolin-2-ium-4-olate Formula: C12H12N2O3 MolecularWeight: 232.23528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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