methyl 3-bromanyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoate

Systemtic Name: methyl 3-bromanyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoate Openeye Name: methyl 3-bromo-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoate CAS Name: 3-bromo-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzoate Traditional Name: 3-bromo-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid methyl ester Formula: C12H11BrF3NO4 MolecularWeight: 370.11925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)C(=O)OC)Br)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)C(=O)OC)Br)(C(F)(F)F)O

InChI

InChI=1S/C12H11BrF3NO4/c1-11(20,12(14,15)16)10(19)17-8-4-3-6(5-7(8)13)9(18)21-2/h3-5,20H,1-2H3,(H,17,19)