7-(2-nitro-1-phenyl-ethyl)azepan-2-one

Systemtic Name: 7-(2-nitro-1-phenyl-ethyl)azepan-2-one Openeye Name: 7-(2-nitro-1-phenyl-ethyl)azepan-2-one CAS Name: 7-(2-nitro-1-phenylethyl)-2-azepanone IUPAC Name: 7-(2-nitro-1-phenylethyl)azepan-2-one Traditional Name: 7-(2-nitro-1-phenyl-ethyl)azepan-2-one Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)NC(C1)C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3/c17-14-9-5-4-8-13(15-14)12(10-16(18)19)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,17)