2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-nitro-2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C15H8F3N3O4 MolecularWeight: 351.23693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H8F3N3O4/c16-15(17,18)10-6-8(21(24)25)2-3-9(10)13-19-11-4-1-7(14(22)23)5-12(11)20-13/h1-6H,(H,19,20)(H,22,23)