2-bromanyl-3,5-dimethyl-7-oxidanyl-bicyclo[4.2.0]octa-1(6),2,4-triene-4-carbonitrile

Systemtic Name: 2-bromanyl-3,5-dimethyl-7-oxidanyl-bicyclo[4.2.0]octa-1(6),2,4-triene-4-carbonitrile Openeye Name: 2-bromo-7-hydroxy-3,5-dimethyl-bicyclo[4.2.0]octa-1(6),2,4-triene-4-carbonitrile CAS Name: 2-bromo-7-hydroxy-3,5-dimethyl-4-bicyclo[4.2.0]octa-1(6),2,4-trienecarbonitrile IUPAC Name: 2-bromo-7-hydroxy-3,5-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-4-carbonitrile Traditional Name: 2-bromo-7-hydroxy-3,5-dimethyl-bicyclo[4.2.0]octa-1(6),2,4-triene-4-carbonitrile Formula: C11H10BrNO MolecularWeight: 252.1072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C(C2)O)Br)C)C#N

Isomeric SMILES

CC1=C(C(=C(C2=C1C(C2)O)Br)C)C#N

InChI

InChI=1S/C11H10BrNO/c1-5-8(4-13)6(2)11(12)7-3-9(14)10(5)7/h9,14H,3H2,1-2H3