4-[3-bromanyl-4-nitro-5-(propan-2-ylamino)pyrazol-1-yl]butane-1-sulfonate

Systemtic Name: 4-[3-bromanyl-4-nitro-5-(propan-2-ylamino)pyrazol-1-yl]butane-1-sulfonate Openeye Name: 4-[3-bromo-5-(isopropylamino)-4-nitro-pyrazol-1-yl]butane-1-sulfonate CAS Name: 4-[3-bromo-4-nitro-5-(propan-2-ylamino)-1-pyrazolyl]-1-butanesulfonate IUPAC Name: 4-[3-bromo-4-nitro-5-(propan-2-ylamino)pyrazol-1-yl]butane-1-sulfonate Traditional Name: 4-[3-bromo-5-(isopropylamino)-4-nitro-pyrazol-1-yl]butane-1-sulfonate Formula: C10H16BrN4O5S- MolecularWeight: 384.22684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NN1CCCCS(=O)(=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NN1CCCCS(=O)(=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C10H17BrN4O5S/c1-7(2)12-10-8(15(16)17)9(11)13-14(10)5-3-4-6-21(18,19)20/h7,12H,3-6H2,1-2H3,(H,18,19,20)/p-1