(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-m-toluoyl-acrylonitrile Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)C2=CC(=CC=C2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)C)OC

InChI

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