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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-2-propenoic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-acrylic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)C(=CC2=CC=C(C=C2)Cl)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O4/c1-2-28-21(26)17(13-24)11-16-4-3-5-20(12-16)29-22(27)18(14-25)10-15-6-8-19(23)9-7-15/h3-12H,2H2,1H3/b17-11+,18-10+