3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazine-1-carboxylate Formula: C19H13N4O5- MolecularWeight: 377.33032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C19H14N4O5/c1-27-12-6-4-5-11(9-12)17-20-15(28-22-17)10-23-18(24)14-8-3-2-7-13(14)16(21-23)19(25)26/h2-9H,10H2,1H3,(H,25,26)/p-1