1-[4-(azepan-1-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1-azepanyl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(azepan-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]ethanone Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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