(E)-4-(4-chlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile

Systemtic Name: (E)-4-(4-chlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile Openeye Name: (E)-2-acetyl-4-(4-chlorophenyl)-3-hydroxy-but-2-enenitrile CAS Name: (E)-2-acetyl-4-(4-chlorophenyl)-3-hydroxy-2-butenenitrile IUPAC Name: (E)-2-acetyl-4-(4-chlorophenyl)-3-hydroxybut-2-enenitrile Traditional Name: (E)-2-acetyl-4-(4-chlorophenyl)-3-hydroxy-but-2-enenitrile Formula: C12H10ClNO2 MolecularWeight: 235.6663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO2/c1-8(15)11(7-14)12(16)6-9-2-4-10(13)5-3-9/h2-5,16H,6H2,1H3/b12-11+