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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC)/C#N

InChI

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