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

Systemtic Name: ethyl 6-ethoxy-4-(4-methoxyphenyl)-6-oxidanyl-3-oxidanylidene-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Openeye Name: ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate CAS Name: 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate Traditional Name: 6-ethoxy-6-hydroxy-3-keto-4-(4-methoxyphenyl)-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylic acid ethyl ester Formula: C19H24N2O6 MolecularWeight: 376.40366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6/c1-4-26-18(23)16-14(11-6-8-12(25-3)9-7-11)15-13(20-21-17(15)22)10-19(16,24)27-5-2/h6-9,14-16,24H,4-5,10H2,1-3H3,(H,21,22)