N-[2-(azepan-1-yl)phenyl]-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-iodanyl-5-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-iodo-5-nitro-benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-iodo-5-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-iodo-5-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-iodo-5-nitro-benzamide Formula: C19H20IN3O3 MolecularWeight: 465.28487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])I

InChI

InChI=1S/C19H20IN3O3/c20-16-10-9-14(23(25)26)13-15(16)19(24)21-17-7-3-4-8-18(17)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,24)