phenyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonate

Systemtic Name: phenyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonate Openeye Name: phenyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanesulfonate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonic acid phenyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCS(=O)(=O)OC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCS(=O)(=O)OC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-10-13(16(17)18)11(2)15(14-10)8-9-22(19,20)21-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3