2-bromanyl-1-hept-1-ynyl-4-nitro-benzene

Systemtic Name: 2-bromanyl-1-hept-1-ynyl-4-nitro-benzene Openeye Name: 2-bromo-1-hept-1-ynyl-4-nitro-benzene CAS Name: 2-bromo-1-hept-1-ynyl-4-nitrobenzene IUPAC Name: 2-bromo-1-hept-1-ynyl-4-nitrobenzene Traditional Name: 2-bromo-1-hept-1-ynyl-4-nitro-benzene Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO2/c1-2-3-4-5-6-7-11-8-9-12(15(16)17)10-13(11)14/h8-10H,2-5H2,1H3