ethyl (E)-6-bromanyl-2-cyano-hex-2-en-4-ynoate

Systemtic Name: ethyl (E)-6-bromanyl-2-cyano-hex-2-en-4-ynoate Openeye Name: ethyl (E)-6-bromo-2-cyano-hex-2-en-4-ynoate CAS Name: (E)-6-bromo-2-cyanohex-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-6-bromo-2-cyanohex-2-en-4-ynoate Traditional Name: (E)-6-bromo-2-cyano-hex-2-en-4-ynoic acid ethyl ester Formula: C9H8BrNO2 MolecularWeight: 242.06932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CCBr)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C#CCBr)/C#N

InChI

InChI=1S/C9H8BrNO2/c1-2-13-9(12)8(7-11)5-3-4-6-10/h5H,2,6H2,1H3/b8-5+