1-ethynyl-2-(4-iodanylbutyl)-3-nitro-benzene

Systemtic Name: 1-ethynyl-2-(4-iodanylbutyl)-3-nitro-benzene Openeye Name: 1-ethynyl-2-(4-iodobutyl)-3-nitro-benzene CAS Name: 1-ethynyl-2-(4-iodobutyl)-3-nitrobenzene IUPAC Name: 1-ethynyl-2-(4-iodobutyl)-3-nitrobenzene Traditional Name: 1-ethynyl-2-(4-iodobutyl)-3-nitro-benzene Formula: C12H12INO2 MolecularWeight: 329.13365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12INO2/c1-2-10-6-5-8-12(14(15)16)11(10)7-3-4-9-13/h1,5-6,8H,3-4,7,9H2