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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-iodanyl-benzamide Openeye Name: 5-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-iodo-benzamide CAS Name: 5-chloro-N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-2-iodobenzamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-iodobenzamide Traditional Name: 5-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-iodo-benzamide Formula: C21H16ClIN4O MolecularWeight: 502.73541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClIN4O/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)