(5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic 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)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H20N2O5/c1-4-27-18-10-9-14(13(2)24)11-15(18)12-28-21(26)19-16-7-5-6-8-17(16)20(25)23(3)22-19/h5-11H,4,12H2,1-3H3