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

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-m-anisoyl-acrylonitrile Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)C2=CC(=CC=C2)OC)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)OC)OC

InChI

InChI=1S/C21H20ClNO4/c1-13(2)27-21-18(22)9-14(10-19(21)26-4)8-16(12-23)20(24)15-6-5-7-17(11-15)25-3/h5-11,13H,1-4H3/b16-8+