methyl (2R)-3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: methyl (2R)-3-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: methyl (2R)-3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate CAS Name: (2R)-3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid methyl ester IUPAC Name: methyl (2R)-3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate Traditional Name: (2R)-3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butyric acid methyl ester Formula: C13H15F3N2O4 MolecularWeight: 320.26441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O4/c1-7(2)11(12(19)22-3)17-9-5-4-8(13(14,15)16)6-10(9)18(20)21/h4-7,11,17H,1-3H3/t11-/m1/s1