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

Systemtic Name: 5-[(2-bromanyl-4-fluoranyl-phenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(2-bromo-4-fluoro-anilino)-2-nitro-benzoic acid CAS Name: 5-(2-bromo-4-fluoroanilino)-2-nitrobenzoic acid IUPAC Name: 5-(2-bromo-4-fluoroanilino)-2-nitrobenzoic acid Traditional Name: 5-(2-bromo-4-fluoro-anilino)-2-nitro-benzoic acid Formula: C13H8BrFN2O4 MolecularWeight: 355.116023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrFN2O4/c14-10-5-7(15)1-3-11(10)16-8-2-4-12(17(20)21)9(6-8)13(18)19/h1-6,16H,(H,18,19)