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

Systemtic Name: 3-[3-(2-iodanylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(2-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(2-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(2-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(2-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C18H14IN3O2 MolecularWeight: 431.22713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4I

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4I

InChI

InChI=1S/C18H14IN3O2/c19-15-7-2-1-6-13(15)16-14-8-9-20-17(14)22(21-16)12-5-3-4-11(10-12)18(23)24/h1-7,10,21H,8-9H2,(H,23,24)