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

Systemtic Name: 3-[3-(5-bromanyl-2-methoxy-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(5-bromo-2-methoxy-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(5-bromo-2-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(5-bromo-2-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(5-bromo-2-methoxy-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H16BrN3O3/c1-26-16-6-5-12(20)10-15(16)17-14-7-8-21-18(14)23(22-17)13-4-2-3-11(9-13)19(24)25/h2-6,9-10,22H,7-8H2,1H3,(H,24,25)