[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrFN2O4 MolecularWeight: 449.270323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrFN2O4/c1-12(20(27)24-17-7-5-16(6-8-17)23-13(2)25)28-19(26)10-3-14-11-15(21)4-9-18(14)22/h3-12H,1-2H3,(H,23,25)(H,24,27)/b10-3+