(4-tert-butyl-2-methyl-phenyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic 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)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3/c1-13-11-14(21(2,3)4)9-10-18(13)26-19(24)12-17-15-7-5-6-8-16(15)20(25)23-22-17/h5-11H,12H2,1-4H3,(H,23,25)