N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2,5-bis(iodanyl)benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2,5-bis(iodanyl)benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2,5-diiodo-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-2,5-diiodobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2,5-diiodobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2,5-diiodo-benzamide Formula: C21H16I2N4O MolecularWeight: 594.18688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)I)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)I)I)C

InChI

InChI=1S/C21H16I2N4O/c1-12-3-6-16(9-13(12)2)27-25-19-8-5-15(11-20(19)26-27)24-21(28)17-10-14(22)4-7-18(17)23/h3-11H,1-2H3,(H,24,28)