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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)15-10-8-14(9-11-15)13-27-18(24)12-23-20(26)17-7-5-4-6-16(17)19(25)22-23/h4-11H,12-13H2,1-3H3,(H,22,25)