2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene; ethanenitrile

Systemtic Name: 2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene; ethanenitrile Openeye Name: acetonitrile; 2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: acetonitrile; 2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: acetonitrile; 2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: acetonitrile; 2,3-dimethoxybicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C10H11NO2 MolecularWeight: 177.19984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.COC1=C(C2=C1C=C2)OC

Isomeric SMILES

CC#N.COC1=C(C2=C1C=C2)OC

InChI

InChI=1S/C8H8O2.C2H3N/c1-9-7-5-3-4-6(5)8(7)10-2;1-2-3/h3-4H,1-2H3;1H3