(4-azanyl-3-nitro-phenyl) 3-fluoranylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-fluoranylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-fluorobenzenesulfonate CAS Name: 3-fluorobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-fluorobenzenesulfonate Traditional Name: 3-fluorobenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C12H9FN2O5S MolecularWeight: 312.273663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])F

InChI

InChI=1S/C12H9FN2O5S/c13-8-2-1-3-10(6-8)21(18,19)20-9-4-5-11(14)12(7-9)15(16)17/h1-7H,14H2