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

Systemtic Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazine-1-carboxylic acid CAS Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazine-1-carboxylic acid Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C19H14N4O4/c1-11-6-8-12(9-7-11)17-20-15(27-22-17)10-23-18(24)14-5-3-2-4-13(14)16(21-23)19(25)26/h2-9H,10H2,1H3,(H,25,26)