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

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butyric acid Formula: C11H11F3N2O4 MolecularWeight: 292.21125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3N2O4/c1-6(4-10(17)18)15-8-3-2-7(11(12,13)14)5-9(8)16(19)20/h2-3,5-6,15H,4H2,1H3,(H,17,18)