ethyl 4-oxidanylidene-3-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-(2-keto-2-mesityl-ethyl)phthalazine-1-carboxylic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H22N2O4/c1-5-28-22(27)20-16-8-6-7-9-17(16)21(26)24(23-20)12-18(25)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3