tert-butyl 2-[6-(1-oxidanidylpyridin-1-ium-3-yl)-1H-indazol-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[6-(1-oxidanidylpyridin-1-ium-3-yl)-1H-indazol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 2-[6-(1-oxidopyridin-1-ium-3-yl)-1H-indazol-3-yl]indole-1-carboxylate CAS Name: 2-[6-(1-oxido-3-pyridin-1-iumyl)-1H-indazol-3-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(1-oxidopyridin-1-ium-3-yl)-1H-indazol-3-yl]indole-1-carboxylate Traditional Name: 2-[6-(1-oxidopyridin-1-ium-3-yl)-1H-indazol-3-yl]indole-1-carboxylic acid tert-butyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=NNC4=C3C=CC(=C4)C5=C[N+](=CC=C5)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=NNC4=C3C=CC(=C4)C5=C[N+](=CC=C5)[O-]

InChI

InChI=1S/C25H22N4O3/c1-25(2,3)32-24(30)29-21-9-5-4-7-17(21)14-22(29)23-19-11-10-16(13-20(19)26-27-23)18-8-6-12-28(31)15-18/h4-15H,1-3H3,(H,26,27)