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

Systemtic Name: (2R)-4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pentanoate Openeye Name: (2R)-4-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]pentanoate CAS Name: (2R)-4-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]pentanoate IUPAC Name: (2R)-4-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]pentanoate Traditional Name: (2R)-4-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]valerate Formula: C13H14F3N2O4- MolecularWeight: 319.25647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O4/c1-7(2)5-10(12(19)20)17-9-4-3-8(13(14,15)16)6-11(9)18(21)22/h3-4,6-7,10,17H,5H2,1-2H3,(H,19,20)/p-1/t10-/m1/s1