3-[6-bromanyl-5-nitro-2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[6-bromanyl-5-nitro-2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-5-nitro-2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[6-bromo-5-nitro-2-(trifluoromethyl)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[6-bromo-5-nitro-2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-5-nitro-2-(trifluoromethyl)benzimidazol-1-yl]propionic acid Formula: C11H7BrF3N3O4 MolecularWeight: 382.09019

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])Br)N(C(=N2)C(F)(F)F)CCC(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])Br)N(C(=N2)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C11H7BrF3N3O4/c12-5-3-8-6(4-7(5)18(21)22)16-10(11(13,14)15)17(8)2-1-9(19)20/h3-4H,1-2H2,(H,19,20)