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

Systemtic Name: methyl (4R,5S,6S)-4-(4-methoxyphenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: methyl (4R,5S,6S)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6S)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S,6S)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6S)-6-hydroxy-3-keto-4-(4-methoxyphenyl)-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-17(22)8-11-13(15(20)19-18-11)12(14(17)16(21)24-3)9-4-6-10(23-2)7-5-9/h4-7,12,14,22H,8H2,1-3H3,(H2,18,19,20)/t12-,14-,17+/m1/s1