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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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