3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

InChI

InChI=1S/C20H16N4O6/c1-28-11-7-8-14(15(9-11)29-2)18-21-16(30-23-18)10-24-19(25)13-6-4-3-5-12(13)17(22-24)20(26)27/h3-9H,10H2,1-2H3,(H,26,27)