(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H10N4O4/c1-7-14-15-10(21-7)6-20-13(19)11-8-4-2-3-5-9(8)12(18)17-16-11/h2-5H,6H2,1H3,(H,17,18)