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

Systemtic Name: methyl 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C18H12ClFN2O3 MolecularWeight: 358.750883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=C(C=CC=C2Cl)F)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=C(C=CC=C2Cl)F)/C#N

InChI

InChI=1S/C18H12ClFN2O3/c1-25-18(24)12-5-2-3-8-16(12)22-17(23)11(10-21)9-13-14(19)6-4-7-15(13)20/h2-9H,1H3,(H,22,23)/b11-9+