2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid Formula: C10H9F3N2O4S MolecularWeight: 310.24967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9F3N2O4S/c11-10(12,13)5-1-2-6(8(3-5)15(18)19)14-7(4-20)9(16)17/h1-3,7,14,20H,4H2,(H,16,17)