methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-17(23)7-9-13(15(21)19-18-9)12(14(17)16(22)25-3)8-4-5-10(20)11(6-8)24-2/h4-6,12,14,20,23H,7H2,1-3H3,(H2,18,19,21)/t12-,14-,17-/m1/s1