ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: ethanol; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C8H9NO3 MolecularWeight: 167.16196

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC2=C1C=C2[N+](=O)[O-]

Isomeric SMILES

CCO.C1=CC2=C1C=C2[N+](=O)[O-]

InChI

InChI=1S/C6H3NO2.C2H6O/c8-7(9)6-3-4-1-2-5(4)6;1-2-3/h1-3H;3H,2H2,1H3