(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4/c1-24-21(26)17-10-6-5-9-16(17)18(22-24)12-20(25)27-13-15-11-19(28-23-15)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3