ethyl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(5-bromo-2-fluorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C19H14BrFN2O3 MolecularWeight: 417.228463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/C#N

InChI

InChI=1S/C19H14BrFN2O3/c1-2-26-19(25)12-3-6-16(7-4-12)23-18(24)14(11-22)9-13-10-15(20)5-8-17(13)21/h3-10H,2H2,1H3,(H,23,24)/b14-9+