5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(3-chloro-4-fluoro-anilino)-2-nitro-benzoic acid CAS Name: 5-(3-chloro-4-fluoroanilino)-2-nitrobenzoic acid IUPAC Name: 5-(3-chloro-4-fluoroanilino)-2-nitrobenzoic acid Traditional Name: 5-(3-chloro-4-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=CC(=C(C=C2)F)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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