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

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-nitro-benzoate Openeye Name: 4-(4-bromo-2-fluoro-anilino)-3-nitro-benzoate CAS Name: 4-(4-bromo-2-fluoroanilino)-3-nitrobenzoate IUPAC Name: 4-(4-bromo-2-fluoroanilino)-3-nitrobenzoate Traditional Name: 4-(4-bromo-2-fluoro-anilino)-3-nitro-benzoate Formula: C13H7BrFN2O4- MolecularWeight: 354.108083

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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)Br)F

Isomeric SMILES

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

InChI

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