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

Systemtic Name: ethyl (4R,5S,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-pyridin-4-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4R,5S,6S)-6-hydroxy-6-methyl-3-oxo-4-(4-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6S)-6-hydroxy-6-methyl-3-oxo-4-pyridin-4-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6S)-6-hydroxy-6-methyl-3-oxo-4-pyridin-4-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6S)-6-hydroxy-3-keto-6-methyl-4-(4-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-23-15(21)13-11(9-4-6-17-7-5-9)12-10(8-16(13,2)22)18-19-14(12)20/h4-7,11,13,22H,3,8H2,1-2H3,(H2,18,19,20)/t11-,13-,16+/m1/s1