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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@](CC3=C2C(=O)NN3)(C)O)C(=O)OC)O

InChI

InChI=1S/C18H22N2O6/c1-4-26-12-7-9(5-6-11(12)21)13-14-10(19-20-16(14)22)8-18(2,24)15(13)17(23)25-3/h5-7,13,15,21,24H,4,8H2,1-3H3,(H2,19,20,22)/t13-,15-,18-/m0/s1