2-(azepan-1-yl)-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-(azepan-1-yl)-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-(azepan-1-yl)-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-(1-azepanyl)-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-(azepan-1-yl)-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCCCCC2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCCCCC2

InChI

InChI=1S/C15H20ClN3O3/c1-11(18-8-4-2-3-5-9-18)15(20)17-14-10-12(19(21)22)6-7-13(14)16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,20)