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

Systemtic Name: 5-[(3-chloranyl-2-fluoranyl-phenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(3-chloro-2-fluoro-anilino)-2-nitro-benzoic acid CAS Name: 5-(3-chloro-2-fluoroanilino)-2-nitrobenzoic acid IUPAC Name: 5-(3-chloro-2-fluoroanilino)-2-nitrobenzoic acid Traditional Name: 5-(3-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(=C1)Cl)F)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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