[5-(ethylamino)-4-nitro-pyrazol-1-yl] 4-bromanylbutane-1-sulfonate

Systemtic Name: [5-(ethylamino)-4-nitro-pyrazol-1-yl] 4-bromanylbutane-1-sulfonate Openeye Name: [5-(ethylamino)-4-nitro-pyrazol-1-yl] 4-bromobutane-1-sulfonate CAS Name: 4-bromo-1-butanesulfonic acid IUPAC Name: [5-(ethylamino)-4-nitropyrazol-1-yl] 4-bromobutane-1-sulfonate Traditional Name: 4-bromobutane-1-sulfonic acid [5-(ethylamino)-4-nitro-pyrazol-1-yl] ester Formula: C9H15BrN4O5S MolecularWeight: 371.2082

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=NN1OS(=O)(=O)CCCCBr)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=NN1OS(=O)(=O)CCCCBr)[N+](=O)[O-]

InChI

InChI=1S/C9H15BrN4O5S/c1-2-11-9-8(14(15)16)7-12-13(9)19-20(17,18)6-4-3-5-10/h7,11H,2-6H2,1H3