3-ethylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

Systemtic Name: 3-ethylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Openeye Name: 3-ethylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile CAS Name: 3-ethyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienecarbonitrile IUPAC Name: 3-ethylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Traditional Name: 3-ethylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Formula: C11H11N MolecularWeight: 157.21174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(C2)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(C2)C#N

InChI

InChI=1S/C11H11N/c1-2-8-3-4-11-9(5-8)6-10(11)7-12/h3-5,10H,2,6H2,1H3