1-(benzotriazol-1-yl)-2-iodanyl-pentan-1-one

Systemtic Name: 1-(benzotriazol-1-yl)-2-iodanyl-pentan-1-one Openeye Name: 1-(benzotriazol-1-yl)-2-iodo-pentan-1-one CAS Name: 1-(1-benzotriazolyl)-2-iodo-1-pentanone IUPAC Name: 1-(benzotriazol-1-yl)-2-iodopentan-1-one Traditional Name: 1-(benzotriazol-1-yl)-2-iodo-pentan-1-one Formula: C11H12IN3O MolecularWeight: 329.13695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1C2=CC=CC=C2N=N1)I

Isomeric SMILES

CCCC(C(=O)N1C2=CC=CC=C2N=N1)I

InChI

InChI=1S/C11H12IN3O/c1-2-5-8(12)11(16)15-10-7-4-3-6-9(10)13-14-15/h3-4,6-8H,2,5H2,1H3