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

Systemtic Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H16N4O4/c1-2-12-7-9-13(10-8-12)18-21-16(28-23-18)11-24-19(25)15-6-4-3-5-14(15)17(22-24)20(26)27/h3-10H,2,11H2,1H3,(H,26,27)