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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Openeye Name: ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate CAS Name: 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-4-(4-methoxyphenyl)-6-methyl-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylic acid ethyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H22N2O5/c1-4-25-17(22)15-13(10-5-7-11(24-3)8-6-10)14-12(9-18(15,2)23)19-20-16(14)21/h5-8,13-15,23H,4,9H2,1-3H3,(H,20,21)