(4-sulfamoylphenyl)methyl 3-(nitrooxymethyl)benzoate

Systemtic Name: (4-sulfamoylphenyl)methyl 3-(nitrooxymethyl)benzoate Openeye Name: (4-sulfamoylphenyl)methyl 3-(nitrooxymethyl)benzoate CAS Name: 3-(nitrooxymethyl)benzoic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 3-(nitrooxymethyl)benzoate Traditional Name: 3-(nitrooxymethyl)benzoic acid (4-sulfamoylbenzyl) ester Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CO[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CO[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H14N2O7S/c16-25(21,22)14-6-4-11(5-7-14)9-23-15(18)13-3-1-2-12(8-13)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22)