prop-2-enyl (4R,5S,6R)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: prop-2-enyl (4R,5S,6R)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl (4R,5S,6R)-6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S,6R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6R)-6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC(=C(C=C3)O)OC)C(=O)NN2)O

Isomeric SMILES

C[C@]1(CC2=C([C@H]([C@@H]1C(=O)OCC=C)C3=CC(=C(C=C3)O)OC)C(=O)NN2)O

InChI

InChI=1S/C19H22N2O6/c1-4-7-27-18(24)16-14(10-5-6-12(22)13(8-10)26-3)15-11(9-19(16,2)25)20-21-17(15)23/h4-6,8,14,16,22,25H,1,7,9H2,2-3H3,(H2,20,21,23)/t14-,16-,19-/m1/s1