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

Systemtic Name: 2-[[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]amino]-2-methyl-propionic acid Formula: C12H12F3N3O5 MolecularWeight: 335.23599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O5/c1-11(2,10(20)21)17-9(19)6-3-5(12(13,14)15)4-7(8(6)16)18(22)23/h3-4H,16H2,1-2H3,(H,17,19)(H,20,21)