1-bromanyl-2-hept-1-ynyl-3-nitro-benzene

Systemtic Name: 1-bromanyl-2-hept-1-ynyl-3-nitro-benzene Openeye Name: 1-bromo-2-hept-1-ynyl-3-nitro-benzene CAS Name: 1-bromo-2-hept-1-ynyl-3-nitrobenzene IUPAC Name: 1-bromo-2-hept-1-ynyl-3-nitrobenzene Traditional Name: 1-bromo-2-hept-1-ynyl-3-nitro-benzene Formula: C13H14BrNO2 MolecularWeight: 296.15976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C=CC=C1Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCC#CC1=C(C=CC=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrNO2/c1-2-3-4-5-6-8-11-12(14)9-7-10-13(11)15(16)17/h7,9-10H,2-5H2,1H3