methyl 4-[2-bromanylprop-2-enyl(phenyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[2-bromanylprop-2-enyl(phenyl)amino]but-2-ynoate Openeye Name: methyl 4-[N-(2-bromoallyl)anilino]but-2-ynoate CAS Name: 4-[N-(2-bromoprop-2-enyl)anilino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[N-(2-bromoprop-2-enyl)anilino]but-2-ynoate Traditional Name: 4-[N-(2-bromoallyl)anilino]but-2-ynoic acid methyl ester Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCN(CC(=C)Br)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C#CCN(CC(=C)Br)C1=CC=CC=C1

InChI

InChI=1S/C14H14BrNO2/c1-12(15)11-16(10-6-9-14(17)18-2)13-7-4-3-5-8-13/h3-5,7-8H,1,10-11H2,2H3