(E)-2-(4-chlorophenyl)carbonyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C18H14ClNO2 MolecularWeight: 311.76226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H14ClNO2/c1-11-7-13(8-12(2)17(11)21)9-15(10-20)18(22)14-3-5-16(19)6-4-14/h3-9,21H,1-2H3/b15-9+