prop-2-enyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-acrylic acid allyl ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC=C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC=C)Cl)OC

InChI

InChI=1S/C16H16ClNO4/c1-4-6-22-16(19)12(10-18)7-11-8-13(17)15(20-3)14(9-11)21-5-2/h4,7-9H,1,5-6H2,2-3H3/b12-7+