3-[bromanyl(nitro)methyl]hex-1-ynylbenzene

Systemtic Name: 3-[bromanyl(nitro)methyl]hex-1-ynylbenzene Openeye Name: 3-[bromo(nitro)methyl]hex-1-ynylbenzene CAS Name: 3-[bromo(nitro)methyl]hex-1-ynylbenzene IUPAC Name: 3-[bromo(nitro)methyl]hex-1-ynylbenzene Traditional Name: 3-[bromo(nitro)methyl]hex-1-ynylbenzene Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#CC1=CC=CC=C1)C([N+](=O)[O-])Br

Isomeric SMILES

CCCC(C#CC1=CC=CC=C1)C([N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrNO2/c1-2-6-12(13(14)15(16)17)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6H2,1H3