3-[(5-fluoranyl-2,4-dinitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(5-fluoranyl-2,4-dinitro-phenyl)amino]benzoic acid Openeye Name: 3-(5-fluoro-2,4-dinitro-anilino)benzoic acid CAS Name: 3-(5-fluoro-2,4-dinitroanilino)benzoic acid IUPAC Name: 3-(5-fluoro-2,4-dinitroanilino)benzoic acid Traditional Name: 3-(5-fluoro-2,4-dinitro-anilino)benzoic acid Formula: C13H8FN3O6 MolecularWeight: 321.217523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C13H8FN3O6/c14-9-5-10(12(17(22)23)6-11(9)16(20)21)15-8-3-1-2-7(4-8)13(18)19/h1-6,15H,(H,18,19)