3-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 3-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]butanoic acid CAS Name: 3-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 3-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 3-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]butyric acid Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O4/c1-6(2)10(11(18)19)16-7-3-4-9(17(20)21)8(5-7)12(13,14)15/h3-6,10,16H,1-2H3,(H,18,19)