(3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H16N2O4/c1-15(2,3)11(18)8-21-14(20)12-9-6-4-5-7-10(9)13(19)17-16-12/h4-7H,8H2,1-3H3,(H,17,19)