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

Systemtic Name: prop-2-enyl (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-cyano-acrylic acid allyl ester Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC=C)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC=C)Cl)OCC#C

InChI

InChI=1S/C17H14ClNO4/c1-4-6-22-16-14(18)9-12(10-15(16)21-3)8-13(11-19)17(20)23-7-5-2/h1,5,8-10H,2,6-7H2,3H3/b13-8+