1-hex-1-ynyl-4-methoxy-2-nitro-benzene

Systemtic Name: 1-hex-1-ynyl-4-methoxy-2-nitro-benzene Openeye Name: 1-hex-1-ynyl-4-methoxy-2-nitro-benzene CAS Name: 1-hex-1-ynyl-4-methoxy-2-nitrobenzene IUPAC Name: 1-hex-1-ynyl-4-methoxy-2-nitrobenzene Traditional Name: 1-hex-1-ynyl-4-methoxy-2-nitro-benzene Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-3-4-5-6-7-11-8-9-12(17-2)10-13(11)14(15)16/h8-10H,3-5H2,1-2H3