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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H20N2O5/c1-3-27-19-9-8-14(13(2)24)10-15(19)12-28-20(25)11-18-16-6-4-5-7-17(16)21(26)23-22-18/h4-10H,3,11-12H2,1-2H3,(H,23,26)