ethyl 3-(4-ethoxycarbonylphenyl)-5,7-dimethyl-4-oxidanylidene-phthalazine-6-carboxylate

Systemtic Name: ethyl 3-(4-ethoxycarbonylphenyl)-5,7-dimethyl-4-oxidanylidene-phthalazine-6-carboxylate Openeye Name: ethyl 3-(4-ethoxycarbonylphenyl)-5,7-dimethyl-4-oxo-phthalazine-6-carboxylate CAS Name: 3-(4-ethoxycarbonylphenyl)-5,7-dimethyl-4-oxo-6-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxycarbonylphenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate Traditional Name: 3-(4-carbethoxyphenyl)-4-keto-5,7-dimethyl-phthalazine-6-carboxylic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C(=C(C=C3C=N2)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C(=C(C=C3C=N2)C)C(=O)OCC)C

InChI

InChI=1S/C22H22N2O5/c1-5-28-21(26)15-7-9-17(10-8-15)24-20(25)19-14(4)18(22(27)29-6-2)13(3)11-16(19)12-23-24/h7-12H,5-6H2,1-4H3