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

Systemtic Name: butyl 3-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 3-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(4-chlorophenyl)-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-2-3-11-27-21(26)16-5-4-6-19(13-16)24-20(25)17(14-23)12-15-7-9-18(22)10-8-15/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)/b17-12+