2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)ethanoic acid Openeye Name: 2-(4-oxo-3-propyl-phthalazin-1-yl)acetic acid CAS Name: 2-(4-oxo-3-propyl-1-phthalazinyl)acetic acid IUPAC Name: 2-(4-oxo-3-propylphthalazin-1-yl)acetic acid Traditional Name: 2-(4-keto-3-propyl-phthalazin-1-yl)acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O

InChI

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