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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-6-hydroxy-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-6-hydroxy-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-6-hydroxy-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-6-hydroxy-3-keto-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7/c1-3-25-18(23)16-14(10-5-6-12-13(7-10)27-9-26-12)15-11(20-21-17(15)22)8-19(16,24)28-4-2/h5-7,14,16,24H,3-4,8-9H2,1-2H3,(H2,20,21,22)