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

Systemtic Name: 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene; 2-oxidanylpropanenitrile Openeye Name: 2-hydroxypropanenitrile; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 2-hydroxypropanenitrile; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 2-hydroxypropanenitrile; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: lactonitrile; 3-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C9H8N2O3 MolecularWeight: 192.17142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)O.C1=CC2=C1C=C2[N+](=O)[O-]

Isomeric SMILES

CC(C#N)O.C1=CC2=C1C=C2[N+](=O)[O-]

InChI

InChI=1S/C6H3NO2.C3H5NO/c8-7(9)6-3-4-1-2-5(4)6;1-3(5)2-4/h1-3H;3,5H,1H3