(2S)-2-azanyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pentanoic acid Openeye Name: (2S)-2-amino-5-[2-nitro-4-(trifluoromethyl)anilino]pentanoic acid CAS Name: (2S)-2-amino-5-[2-nitro-4-(trifluoromethyl)anilino]pentanoic acid IUPAC Name: (2S)-2-amino-5-[2-nitro-4-(trifluoromethyl)anilino]pentanoic acid Traditional Name: (2S)-2-amino-5-[2-nitro-4-(trifluoromethyl)anilino]valeric acid Formula: C12H14F3N3O4 MolecularWeight: 321.25247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1