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

Systemtic Name: 3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(4-methoxyphenyl)-5-isoxazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]phthalazine-1-carboxylic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5/c1-27-13-8-6-12(7-9-13)17-10-14(28-22-17)11-23-19(24)16-5-3-2-4-15(16)18(21-23)20(25)26/h2-10H,11H2,1H3,(H,25,26)