[4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate Openeye Name: [4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-2-propenoic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-acrylic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C(=CC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C22H15ClN2O5/c1-28-20-11-15(10-16(12-24)21(26)29-2)5-8-19(20)30-22(27)17(13-25)9-14-3-6-18(23)7-4-14/h3-11H,1-2H3/b16-10+,17-9+