[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C15H16ClF3N2O4 MolecularWeight: 380.74675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)CCNC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)CCNC(=O)C

InChI

InChI=1S/C15H16ClF3N2O4/c1-8(25-13(23)5-6-20-9(2)22)14(24)21-12-7-10(15(17,18)19)3-4-11(12)16/h3-4,7-8H,5-6H2,1-2H3,(H,20,22)(H,21,24)