methyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate

Systemtic Name: methyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate Openeye Name: methyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylic acid methyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC2=C1C=CC(C2)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=NNC2=C1C=CC(C2)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O4/c1-26-21(25)20-16-9-10-22(12-17(16)23-24-20,14-5-3-2-4-6-14)15-7-8-18-19(11-15)28-13-27-18/h2-11H,12-13H2,1H3,(H,23,24)