(2S)-3-azanyl-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-(4-bromo-2-fluoro-phenoxy)acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-(4-bromo-2-fluorophenoxy)acetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-(4-bromo-2-fluoro-phenoxy)acetyl]but-3-enenitrile Formula: C12H10BrFN2O2 MolecularWeight: 313.122403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC1=C(C=C(C=C1)Br)F)N

InChI

InChI=1S/C12H10BrFN2O2/c1-7(16)9(5-15)11(17)6-18-12-3-2-8(13)4-10(12)14/h2-4,9H,1,6,16H2/t9-/m1/s1