(E)-4-(3,4-dichlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile

Systemtic Name: (E)-4-(3,4-dichlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile Openeye Name: (E)-2-acetyl-4-(3,4-dichlorophenyl)-3-hydroxy-but-2-enenitrile CAS Name: (E)-2-acetyl-4-(3,4-dichlorophenyl)-3-hydroxy-2-butenenitrile IUPAC Name: (E)-2-acetyl-4-(3,4-dichlorophenyl)-3-hydroxybut-2-enenitrile Traditional Name: (E)-2-acetyl-4-(3,4-dichlorophenyl)-3-hydroxy-but-2-enenitrile Formula: C12H9Cl2NO2 MolecularWeight: 270.11136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CC1=CC(=C(C=C1)Cl)Cl)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\CC1=CC(=C(C=C1)Cl)Cl)/O)/C#N

InChI

InChI=1S/C12H9Cl2NO2/c1-7(16)9(6-15)12(17)5-8-2-3-10(13)11(14)4-8/h2-4,17H,5H2,1H3/b12-9+