ethyl 4-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-4-29-21(26)14-5-7-16(8-6-14)24-20(25)15(12-23)9-13-10-17(22)19(28-3)18(11-13)27-2/h5-11H,4H2,1-3H3,(H,24,25)/b15-9+