1-nitrooxypropan-2-yl 4-sulfamoylbenzoate

Systemtic Name: 1-nitrooxypropan-2-yl 4-sulfamoylbenzoate Openeye Name: (1-methyl-2-nitrooxy-ethyl) 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 1-nitrooxypropan-2-yl ester IUPAC Name: 1-nitrooxypropan-2-yl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid (1-methyl-2-nitrooxy-ethyl) ester Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O7S/c1-7(6-18-12(14)15)19-10(13)8-2-4-9(5-3-8)20(11,16)17/h2-5,7H,6H2,1H3,(H2,11,16,17)