(E)-3-azanyl-2-[2-(2-bromanylphenoxy)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2-bromanylphenoxy)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-bromophenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2-bromophenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-bromophenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-bromophenoxy)acetyl]but-2-enenitrile Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=CC=CC=C1Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=CC=CC=C1Br)/N

InChI

InChI=1S/C12H11BrN2O2/c1-8(15)9(6-14)11(16)7-17-12-5-3-2-4-10(12)13/h2-5H,7,15H2,1H3/b9-8+