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

Systemtic Name: 4-[(5-bromanyl-2-fluoranyl-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(5-bromo-2-fluoro-anilino)-3-nitro-benzoic acid CAS Name: 4-(5-bromo-2-fluoroanilino)-3-nitrobenzoic acid IUPAC Name: 4-(5-bromo-2-fluoroanilino)-3-nitrobenzoic acid Traditional Name: 4-(5-bromo-2-fluoro-anilino)-3-nitro-benzoic acid Formula: C13H8BrFN2O4 MolecularWeight: 355.116023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=C(C=CC(=C2)Br)F

InChI

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