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

Systemtic Name: 5-cyclopropyl-1-(3-iodanylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(3-iodophenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(3-iodophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(3-iodophenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(3-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(=CC=C3)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H10IN3O2/c13-8-2-1-3-9(6-8)16-11(7-4-5-7)10(12(17)18)14-15-16/h1-3,6-7H,4-5H2,(H,17,18)