N-[2-(azepan-1-ylcarbonyl)phenyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitro-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4/c21-17-10-9-14(24(27)28)13-16(17)19(25)22-18-8-4-3-7-15(18)20(26)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,25)