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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-16(2,3)12(19)9-22-15(21)13-10-7-5-6-8-11(10)14(20)18(4)17-13/h5-8H,9H2,1-4H3