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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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