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

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C)C

InChI

InChI=1S/C21H20N2O4/c1-11-9-12(2)18(14(4)13(11)3)17(24)10-27-21(26)19-15-7-5-6-8-16(15)20(25)23-22-19/h5-9H,10H2,1-4H3,(H,23,25)