3-bromanyl-2-chloranyl-5-ethanoyl-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-chloranyl-5-ethanoyl-4-oxidanyl-benzenecarbonitrile Openeye Name: 5-acetyl-3-bromo-2-chloro-4-hydroxy-benzonitrile CAS Name: 5-acetyl-3-bromo-2-chloro-4-hydroxybenzonitrile IUPAC Name: 5-acetyl-3-bromo-2-chloro-4-hydroxybenzonitrile Traditional Name: 5-acetyl-3-bromo-2-chloro-4-hydroxy-benzonitrile Formula: C9H5BrClNO2 MolecularWeight: 274.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5BrClNO2/c1-4(13)6-2-5(3-12)8(11)7(10)9(6)14/h2,14H,1H3