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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O6/c1-3-24-17(22)15-13(9-4-5-11-12(6-9)26-8-25-11)14-10(7-18(15,2)23)19-20-16(14)21/h4-6,13,15,23H,3,7-8H2,1-2H3,(H2,19,20,21)