6-azabicyclo[3.1.1]hepta-1(7),2,4-triene; ethanenitrile

Systemtic Name: 6-azabicyclo[3.1.1]hepta-1(7),2,4-triene; ethanenitrile Openeye Name: acetonitrile; 6-azabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: acetonitrile; 6-azabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: acetonitrile; 6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: acetonitrile; 6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C8H8N2 MolecularWeight: 132.16252

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC2=CC(=C1)N2

Isomeric SMILES

CC#N.C1=CC2=CC(=C1)N2

InChI

InChI=1S/C6H5N.C2H3N/c1-2-5-4-6(3-1)7-5;1-2-3/h1-4,7H;1H3