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

Systemtic Name: 2-ethoxyethyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 2-ethoxyethyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 4-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(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=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

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

InChI

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