(E)-3-azanyl-2-[2-[2,4-bis(bromanyl)phenoxy]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[2,4-bis(bromanyl)phenoxy]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2,4-dibromophenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2,4-dibromophenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2,4-dibromophenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2,4-dibromophenoxy)acetyl]but-2-enenitrile Formula: C12H10Br2N2O2 MolecularWeight: 374.028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=C(C=C(C=C1)Br)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=C(C=C(C=C1)Br)Br)/N

InChI

InChI=1S/C12H10Br2N2O2/c1-7(16)9(5-15)11(17)6-18-12-3-2-8(13)4-10(12)14/h2-4H,6,16H2,1H3/b9-7+