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

Systemtic Name: [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(2-methoxyphenyl)isoxazol-5-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [3-(2-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [3-(2-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H17N3O5/c1-24-20(25)15-8-4-3-7-14(15)19(22-24)21(26)28-12-13-11-17(23-29-13)16-9-5-6-10-18(16)27-2/h3-11H,12H2,1-2H3