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

Systemtic Name: ethyl (4S,5S,6R)-6-methyl-4-(3-nitrophenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4S,5S,6R)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5S,6R)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6R)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5S,6R)-6-hydroxy-3-keto-6-methyl-4-(3-nitrophenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C2=C(C[C@@]1(C)O)NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-3-26-16(22)14-12(9-5-4-6-10(7-9)20(24)25)13-11(8-17(14,2)23)18-19-15(13)21/h4-7,12,14,23H,3,8H2,1-2H3,(H2,18,19,21)/t12-,14+,17+/m0/s1