3-[(5R)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one

Systemtic Name: 3-[(5R)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one Openeye Name: 3-[(5R)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-4,5-dihydroisoxazol-3-yl]chromen-2-one CAS Name: 3-[(5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4,5-dihydroisoxazol-3-yl]-1-benzopyran-2-one IUPAC Name: 3-[(5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one Traditional Name: 3-[(5R)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-2-isoxazolin-3-yl]coumarin Formula: C20H17NO6 MolecularWeight: 367.35208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2CC(=NO2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2CC(=NO2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H17NO6/c1-24-17-8-12(9-18(25-2)19(17)22)16-10-14(21-27-16)13-7-11-5-3-4-6-15(11)26-20(13)23/h3-9,16,22H,10H2,1-2H3/t16-/m1/s1