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

Systemtic Name: ethyl 6-methyl-4-(4-methylphenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl 6-hydroxy-6-methyl-3-oxo-4-(p-tolyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-(4-methylphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-6-methyl-4-(4-methylphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-(p-tolyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-4-24-17(22)15-13(11-7-5-10(2)6-8-11)14-12(9-18(15,3)23)19-20-16(14)21/h5-8,13,15,23H,4,9H2,1-3H3,(H2,19,20,21)