1-hept-1-ynyl-4-nitro-benzene

Systemtic Name: 1-hept-1-ynyl-4-nitro-benzene Openeye Name: 1-hept-1-ynyl-4-nitro-benzene CAS Name: 1-hept-1-ynyl-4-nitrobenzene IUPAC Name: 1-hept-1-ynyl-4-nitrobenzene Traditional Name: 1-hept-1-ynyl-4-nitro-benzene Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-5H2,1H3