5-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(5-chloro-2-fluoro-anilino)-2-nitro-benzoic acid CAS Name: 5-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid IUPAC Name: 5-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid Traditional Name: 5-(5-chloro-2-fluoro-anilino)-2-nitro-benzoic acid Formula: C13H8ClFN2O4 MolecularWeight: 310.665023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=CC(=C2)Cl)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=CC(=C2)Cl)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClFN2O4/c14-7-1-3-10(15)11(5-7)16-8-2-4-12(17(20)21)9(6-8)13(18)19/h1-6,16H,(H,18,19)