(4-chloranyl-3,5-dimethyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-propoxyphenyl)-2-propenoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-propoxyphenyl)acrylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)OC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OC2=CC(=C(C(=C2)C)Cl)C

InChI

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