2-(azepan-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-(azepan-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(azepan-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-(1-azepanyl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(azepan-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-(azepan-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCCCCC2)C

InChI

InChI=1S/C17H25N3O3/c1-12-8-9-15(20(22)23)16(13(12)2)18-17(21)14(3)19-10-6-4-5-7-11-19/h8-9,14H,4-7,10-11H2,1-3H3,(H,18,21)