N-[2-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)-4-chloro-phenyl]-3-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-4-chlorophenyl]-3-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)-4-chlorophenyl]-3-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)-4-chloro-phenyl]-3-nitro-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4/c21-15-8-9-18(17(13-15)20(26)23-10-3-1-2-4-11-23)22-19(25)14-6-5-7-16(12-14)24(27)28/h5-9,12-13H,1-4,10-11H2,(H,22,25)