1,3-benzodioxol-5-yl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid 1,3-benzodioxol-5-yl ester Formula: C19H17ClF3NO4 MolecularWeight: 415.79079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3NO4/c1-10(2)17(24-14-5-3-11(7-13(14)20)19(21,22)23)18(25)28-12-4-6-15-16(8-12)27-9-26-15/h3-8,10,17,24H,9H2,1-2H3