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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3N2O4/c12-11(13,14)7-3-4-8(9(6-7)16(19)20)15-5-1-2-10(17)18/h3-4,6,15H,1-2,5H2,(H,17,18)