3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylate Formula: C13H13N2O3- MolecularWeight: 245.25392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

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