4-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-acryloyl]amino]benzoate Formula: C17H9ClFN2O3- MolecularWeight: 343.716363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C17H10ClFN2O3/c18-14-2-1-3-15(19)13(14)8-11(9-20)16(22)21-12-6-4-10(5-7-12)17(23)24/h1-8H,(H,21,22)(H,23,24)/p-1/b11-8+