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

Systemtic Name: 4-[(2-bromanyl-4-fluoranyl-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(2-bromo-4-fluoro-anilino)-3-nitro-benzoic acid CAS Name: 4-(2-bromo-4-fluoroanilino)-3-nitrobenzoic acid IUPAC Name: 4-(2-bromo-4-fluoroanilino)-3-nitrobenzoic acid Traditional Name: 4-(2-bromo-4-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=C(C=C2)F)Br

Isomeric SMILES

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

InChI

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