2-[[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenyl]amino]-3-methyl-butanoate

Systemtic Name: 2-[[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenyl]amino]-3-methyl-butanoate Openeye Name: 2-(2-chloro-3,5,6-trifluoro-4-methyl-anilino)-3-methyl-butanoate CAS Name: 2-(2-chloro-3,5,6-trifluoro-4-methylanilino)-3-methylbutanoate IUPAC Name: 2-(2-chloro-3,5,6-trifluoro-4-methylanilino)-3-methylbutanoate Traditional Name: 2-(2-chloro-3,5,6-trifluoro-4-methyl-anilino)-3-methyl-butyrate Formula: C12H12ClF3NO2- MolecularWeight: 294.67739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)Cl)NC(C(C)C)C(=O)[O-])F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)Cl)NC(C(C)C)C(=O)[O-])F)F

InChI

InChI=1S/C12H13ClF3NO2/c1-4(2)10(12(18)19)17-11-6(13)7(14)5(3)8(15)9(11)16/h4,10,17H,1-3H3,(H,18,19)/p-1