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

Systemtic Name: ethyl 4-[[(E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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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)O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-3-28-20(26)13-4-6-15(7-5-13)23-19(25)14(11-22)8-12-9-16(21)18(24)17(10-12)27-2/h4-10,24H,3H2,1-2H3,(H,23,25)/b14-8+