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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)12(19)9-23-13(20)8-18-15(22)11-7-5-4-6-10(11)14(21)17-18/h4-7H,8-9H2,1-3H3,(H,17,21)