(2,3,6-trimethylphenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C21H22N2O3/c1-12(2)23-20(24)17-9-7-6-8-16(17)18(22-23)21(25)26-19-14(4)11-10-13(3)15(19)5/h6-12H,1-5H3