2-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(1-azepanyl)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCCCC2

InChI

InChI=1S/C15H21N3O3/c1-12-6-7-13(18(20)21)10-14(12)16-15(19)11-17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,16,19)