ethyl 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Openeye Name: ethyl 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate CAS Name: 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Traditional Name: 4-[3-(4-bromophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2/c1-2-27-21(26)15-5-3-13(4-6-15)18-12-11-17-19(24-25-20(17)23-18)14-7-9-16(22)10-8-14/h3-12H,2H2,1H3,(H,23,24,25)