(4-iodophenyl) 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (4-iodophenyl) 1-ethylbenzotriazole-5-carboxylate Openeye Name: (4-iodophenyl) 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (4-iodophenyl) ester Formula: C15H12IN3O2 MolecularWeight: 393.17915

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)I)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)I)N=N1

InChI

InChI=1S/C15H12IN3O2/c1-2-19-14-8-3-10(9-13(14)17-18-19)15(20)21-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3