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

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

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