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

Systemtic Name: 4-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-(4-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=C(C=C3)C(=O)O)C4=CC=C(C=C4)I

Isomeric SMILES

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

InChI

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