(E)-4-(3-chlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile; N,N-diethylethanamine

Systemtic Name: (E)-4-(3-chlorophenyl)-2-ethanoyl-3-oxidanyl-but-2-enenitrile; N,N-diethylethanamine Openeye Name: (E)-2-acetyl-4-(3-chlorophenyl)-3-hydroxy-but-2-enenitrile; N,N-diethylethanamine CAS Name: (E)-2-acetyl-4-(3-chlorophenyl)-3-hydroxy-2-butenenitrile; N,N-diethylethanamine IUPAC Name: (E)-2-acetyl-4-(3-chlorophenyl)-3-hydroxybut-2-enenitrile; N,N-diethylethanamine Traditional Name: (E)-2-acetyl-4-(3-chlorophenyl)-3-hydroxy-but-2-enenitrile; triethylamine Formula: C18H25ClN2O2 MolecularWeight: 336.8563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO2.C6H15N/c1-8(15)11(7-14)12(16)6-9-3-2-4-10(13)5-9;1-4-7(5-2)6-3/h2-5,16H,6H2,1H3;4-6H2,1-3H3/b12-11+;