[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)OC

InChI

InChI=1S/C21H20N2O7/c1-28-17-8-7-13(11-18(17)29-2)16(25)12-30-21(27)19-14-5-3-4-6-15(14)20(26)23(22-19)9-10-24/h3-8,11,24H,9-10,12H2,1-2H3