3-(6-ethyl-4-oxidanylidene-1H-cinnolin-3-yl)propanoic acid

Systemtic Name: 3-(6-ethyl-4-oxidanylidene-1H-cinnolin-3-yl)propanoic acid Openeye Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid CAS Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid IUPAC Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid Traditional Name: 3-(6-ethyl-4-keto-1H-cinnolin-3-yl)propionic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NN=C(C2=O)CCC(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)NN=C(C2=O)CCC(=O)O

InChI

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