5-cyclopropyl-1-(4-iodophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-cyclopropyl-1-(4-iodophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(4-iodophenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(4-iodophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(4-iodophenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(4-iodophenyl)triazole-4-carboxylic acid Formula: C12H10IN3O2 MolecularWeight: 355.13117

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=CC=C(C=C3)I)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=CC=C(C=C3)I)C(=O)O

InChI

InChI=1S/C12H10IN3O2/c13-8-3-5-9(6-4-8)16-11(7-1-2-7)10(12(17)18)14-15-16/h3-7H,1-2H2,(H,17,18)