(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H14N2O5 MolecularWeight: 350.32486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C19H14N2O5/c22-18-14-9-5-4-8-13(14)10-15(25-18)19(23)24-11-16-20-21-17(26-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-/m1/s1