(3-nitrophenyl) 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate

Systemtic Name: (3-nitrophenyl) 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate Openeye Name: (3-nitrophenyl) 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate CAS Name: 4-[(2-fluorophenyl)methylsulfonyl]-3-nitrobenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-[(2-fluorophenyl)methylsulfonyl]-3-nitrobenzoate Traditional Name: 4-(2-fluorobenzyl)sulfonyl-3-nitro-benzoic acid (3-nitrophenyl) ester Formula: C20H13FN2O8S MolecularWeight: 460.389223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C20H13FN2O8S/c21-17-7-2-1-4-14(17)12-32(29,30)19-9-8-13(10-18(19)23(27)28)20(24)31-16-6-3-5-15(11-16)22(25)26/h1-11H,12H2