2-ethoxyethyl 3-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 2-ethoxyethyl 3-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 2-ethoxyethyl 3-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 3-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(4-chlorophenyl)-2-cyano-acryloyl]amino]benzoic acid 2-ethoxyethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-2-27-10-11-28-21(26)16-4-3-5-19(13-16)24-20(25)17(14-23)12-15-6-8-18(22)9-7-15/h3-9,12-13H,2,10-11H2,1H3,(H,24,25)/b17-12+