(4-oxidanylidene-3H-phthalazin-1-yl) butanoate

Systemtic Name: (4-oxidanylidene-3H-phthalazin-1-yl) butanoate Openeye Name: (4-oxo-3H-phthalazin-1-yl) butanoate CAS Name: butanoic acid (4-oxo-3H-phthalazin-1-yl) ester IUPAC Name: (4-oxo-3H-phthalazin-1-yl) butanoate Traditional Name: butyric acid (4-keto-3H-phthalazin-1-yl) ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCCC(=O)OC1=NNC(=O)C2=CC=CC=C21

InChI

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