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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-chloro-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-chloro-2-nitro-benzamide Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-14-9-10-15(18(13-14)23(25)26)19(24)21-16-7-3-4-8-17(16)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,24)