(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H20N2O6/c1-3-28-18-9-8-14(13(2)24)10-15(18)12-29-19(25)11-23-21(27)17-7-5-4-6-16(17)20(26)22-23/h4-10H,3,11-12H2,1-2H3,(H,22,26)