Molecular structure of 3-Nitrostyrene (CAS NO.586-39-0) is:

Product Name: 3-Nitrostyrene
CAS Registry Number: 586-39-0
IUPAC Name: 1-Ethenyl-3-nitrobenzene
Molecular Weight: 149.14668 [g/mol]  
Molecular Formula: C₈H₇NO₂  
XLogP3: 2.3  
H-Bond Donor: 0  
H-Bond Acceptor: 2
EINECS: 209-575-4
Melting Point: -5 °C(lit.)
Refractive index: n20/D 1.584(lit.)
Storage temp.: 0-6 °C
Index of Refraction: 1.603 
Molar Refractivity: 43.72 cm³ 
Molar Volume: 127.2 cm³
Surface Tension: 44 dyne/cm 
Density: 1.172 g/cm³ 
Flash Point: 107.2 °C 
Enthalpy of Vaporization: 45.65 kJ/mol 
Boiling Point: 238.9 °C at 760 mmHg 
Vapour Pressure: 0.0638 mmHg at 25 °C 
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Product Categories: Monomers;Polymer Science;Styrene and Functionalized Styrene Monomers
Canonical SMILES: C=CC1=CC(=CC=C1)[N+](=O)[O-]
InChI: InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2 
InChIKey: SYZVQXIUVGKCBJ-UHFFFAOYSA-N

Safty information about 3-Nitrostyrene (CAS NO.586-39-0) is:
Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes.
RIDADR: 2810
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III

 3-Nitrostyrene , its cas register number is 586-39-0. It also can be called Benzene,1-ethenyl-3-nitro- ; 1-Ethenyl-3-nitrobenzene ; 1-Vinyl-3-nitrobenzene .It is a clear yellow to light brown liquid.