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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-21(2,3)17(24)13-27-20(26)18-15-11-7-8-12-16(15)19(25)23(22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3