2-[2-[(5-bromanyl-2-ethanoyl-4-fluoranyl-phenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(5-bromanyl-2-ethanoyl-4-fluoranyl-phenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2-acetyl-5-bromo-4-fluoro-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(2-acetyl-5-bromo-4-fluoroanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-acetyl-5-bromo-4-fluoroanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2-acetyl-5-bromo-4-fluoro-anilino)acetyl]amino]benzoic acid Formula: C17H14BrFN2O4 MolecularWeight: 409.206463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)Br)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)Br)F

InChI

InChI=1S/C17H14BrFN2O4/c1-9(22)11-6-13(19)12(18)7-15(11)20-8-16(23)21-14-5-3-2-4-10(14)17(24)25/h2-7,20H,8H2,1H3,(H,21,23)(H,24,25)