(4-oxidanylidene-3H-phthalazin-1-yl) 2-(bromomethyl)butanoate

Systemtic Name: (4-oxidanylidene-3H-phthalazin-1-yl) 2-(bromomethyl)butanoate Openeye Name: (4-oxo-3H-phthalazin-1-yl) 2-(bromomethyl)butanoate CAS Name: 2-(bromomethyl)butanoic acid (4-oxo-3H-phthalazin-1-yl) ester IUPAC Name: (4-oxo-3H-phthalazin-1-yl) 2-(bromomethyl)butanoate Traditional Name: 2-(bromomethyl)butyric acid (4-keto-3H-phthalazin-1-yl) ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CBr)C(=O)OC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCC(CBr)C(=O)OC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H13BrN2O3/c1-2-8(7-14)13(18)19-12-10-6-4-3-5-9(10)11(17)15-16-12/h3-6,8H,2,7H2,1H3,(H,15,17)