(E)-N-(4-acetamidophenyl)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(4-acetamidophenyl)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-3-(5-bromo-2-fluorophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-3-(5-bromo-2-fluorophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-acrylamide Formula: C18H13BrFN3O2 MolecularWeight: 402.217123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)F)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/C#N

InChI

InChI=1S/C18H13BrFN3O2/c1-11(24)22-15-3-5-16(6-4-15)23-18(25)13(10-21)8-12-9-14(19)2-7-17(12)20/h2-9H,1H3,(H,22,24)(H,23,25)/b13-8+