(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 3-nitrobenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 3-nitrobenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C11H10N4O6S MolecularWeight: 326.2853

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H10N4O6S/c1-22(19,20)14-9(12)6-10(13-14)21-11(16)7-3-2-4-8(5-7)15(17)18/h2-6H,12H2,1H3