2-(4-oxidanylidene-6-propan-2-yl-1H-cinnolin-3-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-6-propan-2-yl-1H-cinnolin-3-yl)ethanoic acid Openeye Name: 2-(6-isopropyl-4-oxo-1H-cinnolin-3-yl)acetic acid CAS Name: 2-(4-oxo-6-propan-2-yl-1H-cinnolin-3-yl)acetic acid IUPAC Name: 2-(4-oxo-6-propan-2-yl-1H-cinnolin-3-yl)acetic acid Traditional Name: 2-(6-isopropyl-4-keto-1H-cinnolin-3-yl)acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NN=C(C2=O)CC(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)NN=C(C2=O)CC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-7(2)8-3-4-10-9(5-8)13(18)11(15-14-10)6-12(16)17/h3-5,7H,6H2,1-2H3,(H,14,18)(H,16,17)