5-methyl-1-(2-methylpropyl)-4-nitro-pyrazole

Systemtic Name: 5-methyl-1-(2-methylpropyl)-4-nitro-pyrazole Openeye Name: 1-isobutyl-5-methyl-4-nitro-pyrazole CAS Name: 5-methyl-1-(2-methylpropyl)-4-nitropyrazole IUPAC Name: 5-methyl-1-(2-methylpropyl)-4-nitropyrazole Traditional Name: 1-isobutyl-5-methyl-4-nitro-pyrazole Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C8H13N3O2/c1-6(2)5-10-7(3)8(4-9-10)11(12)13/h4,6H,5H2,1-3H3