methyl 4-bromanyl-2-nitro-5-sulfamoyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-nitro-5-sulfamoyl-benzoate Openeye Name: methyl 4-bromo-2-nitro-5-sulfamoyl-benzoate CAS Name: 4-bromo-2-nitro-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-nitro-5-sulfamoylbenzoate Traditional Name: 4-bromo-2-nitro-5-sulfamoyl-benzoic acid methyl ester Formula: C8H7BrN2O6S MolecularWeight: 339.11998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])Br)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])Br)S(=O)(=O)N

InChI

InChI=1S/C8H7BrN2O6S/c1-17-8(12)4-2-7(18(10,15)16)5(9)3-6(4)11(13)14/h2-3H,1H3,(H2,10,15,16)