[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H12BrFN2O4 MolecularWeight: 407.190583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)OC=N3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)OC=N3

InChI

InChI=1S/C17H12BrFN2O4/c1-9(16(22)21-13-4-3-11(18)7-12(13)19)25-17(23)10-2-5-15-14(6-10)20-8-24-15/h2-9H,1H3,(H,21,22)