2-[[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]propanoic acid CAS Name: 2-[[[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]propionic acid Formula: C11H10F3N3O5 MolecularWeight: 321.20941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC(=CC(=C1N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC(=CC(=C1N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H10F3N3O5/c1-4(10(19)20)16-9(18)6-2-5(11(12,13)14)3-7(8(6)15)17(21)22/h2-4H,15H2,1H3,(H,16,18)(H,19,20)