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

Systemtic Name: ethyl (4R,5S,6R)-4-(4-methoxy-3-oxidanyl-phenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4R,5S,6R)-6-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6R)-6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6R)-6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6R)-6-hydroxy-4-(3-hydroxy-4-methoxy-phenyl)-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=C(C=C3)OC)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C2=C(C[C@@]1(C)O)NNC2=O)C3=CC(=C(C=C3)OC)O

InChI

InChI=1S/C18H22N2O6/c1-4-26-17(23)15-13(9-5-6-12(25-3)11(21)7-9)14-10(8-18(15,2)24)19-20-16(14)22/h5-7,13,15,21,24H,4,8H2,1-3H3,(H2,19,20,22)/t13-,15-,18-/m1/s1