1-[2-(azepan-1-yl)-5-nitro-phenyl]ethanone

Systemtic Name: 1-[2-(azepan-1-yl)-5-nitro-phenyl]ethanone Openeye Name: 1-[2-(azepan-1-yl)-5-nitro-phenyl]ethanone CAS Name: 1-[2-(1-azepanyl)-5-nitrophenyl]ethanone IUPAC Name: 1-[2-(azepan-1-yl)-5-nitrophenyl]ethanone Traditional Name: 1-[2-(azepan-1-yl)-5-nitro-phenyl]ethanone Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-11(17)13-10-12(16(18)19)6-7-14(13)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3