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

Systemtic Name: methyl 6-methyl-4-(4-nitrophenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: methyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-(4-nitrophenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NN2)O

InChI

InChI=1S/C16H17N3O6/c1-16(22)7-10-12(14(20)18-17-10)11(13(16)15(21)25-2)8-3-5-9(6-4-8)19(23)24/h3-6,11,13,22H,7H2,1-2H3,(H2,17,18,20)