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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H17N3O5/c1-13-17(22-20(29-13)14-7-3-2-4-8-14)12-28-18(25)11-24-21(27)16-10-6-5-9-15(16)19(26)23-24/h2-10H,11-12H2,1H3,(H,23,26)