5-chloranyl-1-methyl-3-(2-methylpropoxymethyl)-4-nitro-pyrazole

Systemtic Name: 5-chloranyl-1-methyl-3-(2-methylpropoxymethyl)-4-nitro-pyrazole Openeye Name: 5-chloro-3-(isobutoxymethyl)-1-methyl-4-nitro-pyrazole CAS Name: 5-chloro-1-methyl-3-(2-methylpropoxymethyl)-4-nitropyrazole IUPAC Name: 5-chloro-1-methyl-3-(2-methylpropoxymethyl)-4-nitropyrazole Traditional Name: 5-chloro-3-(isobutoxymethyl)-1-methyl-4-nitro-pyrazole Formula: C9H14ClN3O3 MolecularWeight: 247.67876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1=NN(C(=C1[N+](=O)[O-])Cl)C

Isomeric SMILES

CC(C)COCC1=NN(C(=C1[N+](=O)[O-])Cl)C

InChI

InChI=1S/C9H14ClN3O3/c1-6(2)4-16-5-7-8(13(14)15)9(10)12(3)11-7/h6H,4-5H2,1-3H3