4-azido-N-(cyanomethyl)-3-iodanyl-benzamide

Systemtic Name: 4-azido-N-(cyanomethyl)-3-iodanyl-benzamide Openeye Name: 4-azido-N-(cyanomethyl)-3-iodo-benzamide CAS Name: 4-azido-N-(cyanomethyl)-3-iodobenzamide IUPAC Name: 4-azido-N-(cyanomethyl)-3-iodobenzamide Traditional Name: 4-azido-N-(cyanomethyl)-3-iodo-benzamide Formula: C9H6IN5O MolecularWeight: 327.08131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCC#N)I)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCC#N)I)N=[N+]=[N-]

InChI

InChI=1S/C9H6IN5O/c10-7-5-6(9(16)13-4-3-11)1-2-8(7)14-15-12/h1-2,5H,4H2,(H,13,16)