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

Systemtic Name: ethyl 6-methyl-4-(4-nitrophenyl)-6-oxidanyl-3-oxidanylidene-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Openeye Name: ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-(4-nitrophenyl)-3a,4,5,7-tetrahydro-2H-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(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)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/h4-7,12-14,23H,3,8H2,1-2H3,(H,19,21)