5-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-4-(7-methoxy-1-benzofuran-4-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-4-(7-methoxy-1-benzofuran-4-yl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(7-methoxybenzofuran-4-yl)-1,2-dihydropyrazol-3-one CAS Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(7-methoxy-4-benzofuranyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(7-methoxy-1-benzofuran-4-yl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(7-methoxybenzofuran-4-yl)-3-pyrazolin-3-one Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C2=C(C(=O)NN2)C3=C4C=COC4=C(C=C3)OC)O)O

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C2=C(C(=O)NN2)C3=C4C=COC4=C(C=C3)OC)O)O

InChI

InChI=1S/C21H20N2O5/c1-10(2)13-8-14(16(25)9-15(13)24)19-18(21(26)23-22-19)11-4-5-17(27-3)20-12(11)6-7-28-20/h4-10,24-25H,1-3H3,(H2,22,23,26)