phenacyl 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate

Systemtic Name: phenacyl 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: phenacyl 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid phenacyl ester Formula: C21H16N2O8S MolecularWeight: 456.42534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O8S/c24-19-11-10-17(12-18(19)23(27)28)32(29,30)22-16-8-6-15(7-9-16)21(26)31-13-20(25)14-4-2-1-3-5-14/h1-12,22,24H,13H2