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

Systemtic Name: ethyl (3aS,4R,5S,6R)-6-methyl-4-(4-nitrophenyl)-6-oxidanyl-3-oxidanylidene-2,3a,4,5-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (3aS,4R,5S,6R)-6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,3a,4,5-tetrahydro-1H-indazole-5-carboxylate CAS Name: (3aS,4R,5S,6R)-6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,3a,4,5-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4R,5S,6R)-6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,3a,4,5-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (3aS,4R,5S,6R)-6-hydroxy-3-keto-6-methyl-4-(4-nitrophenyl)-2,3a,4,5-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(C2C(=CC1(C)O)NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H]2C(=C[C@@]1(C)O)NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-3-26-16(22)14-12(9-4-6-10(7-5-9)20(24)25)13-11(8-17(14,2)23)18-19-15(13)21/h4-8,12-14,18,23H,3H2,1-2H3,(H,19,21)/t12-,13-,14-,17-/m1/s1