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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H22N2O4/c1-13-11-14(21(2,3)4)9-10-17(13)27-18(24)12-23-20(26)16-8-6-5-7-15(16)19(25)22-23/h5-11H,12H2,1-4H3,(H,22,25)