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

Systemtic Name: 5-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-nitro-benzoate Openeye Name: 5-(4-bromo-2-fluoro-anilino)-2-nitro-benzoate CAS Name: 5-(4-bromo-2-fluoroanilino)-2-nitrobenzoate IUPAC Name: 5-(4-bromo-2-fluoroanilino)-2-nitrobenzoate Traditional Name: 5-(4-bromo-2-fluoro-anilino)-2-nitro-benzoate Formula: C13H7BrFN2O4- MolecularWeight: 354.108083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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