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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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