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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c24-19(15-8-7-9-16(14-15)23(26)27)21-18-11-4-3-10-17(18)20(25)22-12-5-1-2-6-13-22/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,24)