3-[(4-fluoranyl-2-nitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(4-fluoranyl-2-nitro-phenyl)amino]benzoic acid Openeye Name: 3-(4-fluoro-2-nitro-anilino)benzoic acid CAS Name: 3-(4-fluoro-2-nitroanilino)benzoic acid IUPAC Name: 3-(4-fluoro-2-nitroanilino)benzoic acid Traditional Name: 3-(4-fluoro-2-nitro-anilino)benzoic acid Formula: C13H9FN2O4 MolecularWeight: 276.219963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9FN2O4/c14-9-4-5-11(12(7-9)16(19)20)15-10-3-1-2-8(6-10)13(17)18/h1-7,15H,(H,17,18)