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

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-o-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=C2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\C#N)/C(=O)C2=CC=CC=C2C)OC

InChI

InChI=1S/C21H20ClNO3/c1-4-9-26-21-18(22)11-15(12-19(21)25-3)10-16(13-23)20(24)17-8-6-5-7-14(17)2/h5-8,10-12H,4,9H2,1-3H3/b16-10+