(4-tert-butyl-2-methyl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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