3-[3-(5-bromanylpyridin-3-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(5-bromanylpyridin-3-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(5-bromo-3-pyridyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(5-bromo-3-pyridinyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(5-bromopyridin-3-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(5-bromo-3-pyridyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C17H13BrN4O2/c18-12-6-11(8-19-9-12)15-14-4-5-20-16(14)22(21-15)13-3-1-2-10(7-13)17(23)24/h1-3,6-9,21H,4-5H2,(H,23,24)