(4-acetamido-3-nitro-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-acetamido-3-nitro-phenyl) 4-nitrobenzenesulfonate Openeye Name: (4-acetamido-3-nitro-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-acetamido-3-nitrophenyl) ester IUPAC Name: (4-acetamido-3-nitrophenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-acetamido-3-nitro-phenyl) ester Formula: C14H11N3O8S MolecularWeight: 381.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O8S/c1-9(18)15-13-7-4-11(8-14(13)17(21)22)25-26(23,24)12-5-2-10(3-6-12)16(19)20/h2-8H,1H3,(H,15,18)