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

Systemtic Name: ethyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[(E)-2-cyano-3-p-phenetyl-acryloyl]amino]-2-methoxy-benzoic acid ethyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OCC)Cl

InChI

InChI=1S/C22H21ClN2O5/c1-4-29-16-8-6-14(7-9-16)10-15(13-24)21(26)25-19-12-20(28-3)17(11-18(19)23)22(27)30-5-2/h6-12H,4-5H2,1-3H3,(H,25,26)/b15-10+