(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-(4-propylbenzoyl)acrylonitrile Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C(=C2)Cl)OC)OC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OC)OC)/C#N

InChI

InChI=1S/C21H20ClNO3/c1-4-5-14-6-8-16(9-7-14)20(24)17(13-23)10-15-11-18(22)21(26-3)19(12-15)25-2/h6-12H,4-5H2,1-3H3/b17-10+