4-(3-bromanyl-4-nitro-5-pyrrolidin-1-yl-pyrazol-1-yl)butane-1-sulfonate

Systemtic Name: 4-(3-bromanyl-4-nitro-5-pyrrolidin-1-yl-pyrazol-1-yl)butane-1-sulfonate Openeye Name: 4-(3-bromo-4-nitro-5-pyrrolidin-1-yl-pyrazol-1-yl)butane-1-sulfonate CAS Name: 4-[3-bromo-4-nitro-5-(1-pyrrolidinyl)-1-pyrazolyl]-1-butanesulfonate IUPAC Name: 4-(3-bromo-4-nitro-5-pyrrolidin-1-ylpyrazol-1-yl)butane-1-sulfonate Traditional Name: 4-(3-bromo-4-nitro-5-pyrrolidino-pyrazol-1-yl)butane-1-sulfonate Formula: C11H16BrN4O5S- MolecularWeight: 396.23754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NN2CCCCS(=O)(=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NN2CCCCS(=O)(=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C11H17BrN4O5S/c12-10-9(16(17)18)11(14-5-1-2-6-14)15(13-10)7-3-4-8-22(19,20)21/h1-8H2,(H,19,20,21)/p-1