N-(3-imidazol-1-ylpropyl)-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-iodanyl-5-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-iodo-5-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-iodo-5-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-iodo-5-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-iodo-5-nitro-benzamide Formula: C13H13IN4O3 MolecularWeight: 400.17179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCN2C=CN=C2)I

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCN2C=CN=C2)I

InChI

InChI=1S/C13H13IN4O3/c14-12-3-2-10(18(20)21)8-11(12)13(19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9H,1,4,6H2,(H,16,19)