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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC(=C(C=C3)O)OC

InChI

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