2-methyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-2-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-2-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4/c1-5(2)4-6-7(12(15)16)8(9(13)14)11(3)10-6/h5H,4H2,1-3H3,(H,13,14)