N-[1-(azepan-1-yl)-2,2,2-tris(chloranyl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[1-(azepan-1-yl)-2,2,2-tris(chloranyl)ethyl]-3-nitro-benzamide Openeye Name: N-[1-(azepan-1-yl)-2,2,2-trichloro-ethyl]-3-nitro-benzamide CAS Name: N-[1-(1-azepanyl)-2,2,2-trichloroethyl]-3-nitrobenzamide IUPAC Name: N-[1-(azepan-1-yl)-2,2,2-trichloroethyl]-3-nitrobenzamide Traditional Name: N-[1-(azepan-1-yl)-2,2,2-trichloro-ethyl]-3-nitro-benzamide Formula: C15H18Cl3N3O3 MolecularWeight: 394.68072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18Cl3N3O3/c16-15(17,18)14(20-8-3-1-2-4-9-20)19-13(22)11-6-5-7-12(10-11)21(23)24/h5-7,10,14H,1-4,8-9H2,(H,19,22)