2-(azepan-1-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(1-azepanyl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(3-nitrophenyl)ethanone Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c17-14(11-15-8-3-1-2-4-9-15)12-6-5-7-13(10-12)16(18)19/h5-7,10H,1-4,8-9,11H2