1-fluoranyl-2-heptan-3-yl-3-nitro-benzene

Systemtic Name: 1-fluoranyl-2-heptan-3-yl-3-nitro-benzene Openeye Name: 2-(1-ethylpentyl)-1-fluoro-3-nitro-benzene CAS Name: 1-fluoro-2-heptan-3-yl-3-nitrobenzene IUPAC Name: 1-fluoro-2-heptan-3-yl-3-nitrobenzene Traditional Name: 2-(1-ethylpentyl)-1-fluoro-3-nitro-benzene Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C=CC=C1F)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=C(C=CC=C1F)[N+](=O)[O-]

InChI

InChI=1S/C13H18FNO2/c1-3-5-7-10(4-2)13-11(14)8-6-9-12(13)15(16)17/h6,8-10H,3-5,7H2,1-2H3