bicyclo[2.1.0]pentane; 1-chloranyl-3-ethynyl-5-nitro-benzene

Systemtic Name: bicyclo[2.1.0]pentane; 1-chloranyl-3-ethynyl-5-nitro-benzene Openeye Name: bicyclo[2.1.0]pentane; 1-chloro-3-ethynyl-5-nitro-benzene CAS Name: bicyclo[2.1.0]pentane; 1-chloro-3-ethynyl-5-nitrobenzene IUPAC Name: bicyclo[2.1.0]pentane; 1-chloro-3-ethynyl-5-nitrobenzene Traditional Name: bicyclo[2.1.0]pentane; 1-chloro-3-ethynyl-5-nitro-benzene Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)Cl)[N+](=O)[O-].C1CC2C1C2

Isomeric SMILES

C#CC1=CC(=CC(=C1)Cl)[N+](=O)[O-].C1CC2C1C2

InChI

InChI=1S/C8H4ClNO2.C5H8/c1-2-6-3-7(9)5-8(4-6)10(11)12;1-2-5-3-4(1)5/h1,3-5H;4-5H,1-3H2