[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O5/c1-12-6-8-13(9-7-12)20-23-16(31-25-20)11-30-17(27)10-26-21(29)15-5-3-2-4-14(15)18(24-26)19(22)28/h2-9H,10-11H2,1H3,(H2,22,28)