1-methyl-3-(2-methylpropyl)-5-nitro-pyrazole

Systemtic Name: 1-methyl-3-(2-methylpropyl)-5-nitro-pyrazole Openeye Name: 3-isobutyl-1-methyl-5-nitro-pyrazole CAS Name: 1-methyl-3-(2-methylpropyl)-5-nitropyrazole IUPAC Name: 1-methyl-3-(2-methylpropyl)-5-nitropyrazole Traditional Name: 3-isobutyl-1-methyl-5-nitro-pyrazole Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1)[N+](=O)[O-])C

Isomeric SMILES

CC(C)CC1=NN(C(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C8H13N3O2/c1-6(2)4-7-5-8(11(12)13)10(3)9-7/h5-6H,4H2,1-3H3