1-[4-(2-methylpropyl)phenyl]sulfonyl-4-nitro-pyrazole

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-nitro-pyrazole Openeye Name: 1-(4-isobutylphenyl)sulfonyl-4-nitro-pyrazole CAS Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-nitropyrazole IUPAC Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-nitropyrazole Traditional Name: 1-(4-isobutylphenyl)sulfonyl-4-nitro-pyrazole Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-10(2)7-11-3-5-13(6-4-11)21(19,20)15-9-12(8-14-15)16(17)18/h3-6,8-10H,7H2,1-2H3