2-(azepan-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(1-azepanyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide Formula: C15H18F3N3O3 MolecularWeight: 345.31693

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H18F3N3O3/c16-15(17,18)12-9-11(5-6-13(12)21(23)24)19-14(22)10-20-7-3-1-2-4-8-20/h5-6,9H,1-4,7-8,10H2,(H,19,22)