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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H12N4O4/c23-16-13-9-5-4-8-12(13)15(20-21-16)18(24)25-10-14-19-22-17(26-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,23)