(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-propan-2-ylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-propan-2-ylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-isopropylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[oxo-(4-propan-2-ylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-propan-2-ylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cumoyl-acrylonitrile Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=C(C=C2)C(C)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)C(C)C)Cl)O

InChI

InChI=1S/C21H20ClNO3/c1-4-26-19-11-14(10-18(22)21(19)25)9-17(12-23)20(24)16-7-5-15(6-8-16)13(2)3/h5-11,13,25H,4H2,1-3H3/b17-9+