propan-2-yl 1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: isopropyl 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(4-iodophenyl)-5-methyl-4-triazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(4-iodophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylic acid isopropyl ester Formula: C13H14IN3O2 MolecularWeight: 371.17363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)I)C(=O)OC(C)C

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)I)C(=O)OC(C)C

InChI

InChI=1S/C13H14IN3O2/c1-8(2)19-13(18)12-9(3)17(16-15-12)11-6-4-10(14)5-7-11/h4-8H,1-3H3