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

Systemtic Name: 2-tert-butyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-tert-butyl-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-tert-butyl-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-tert-butyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylic acid Traditional Name: 2-tert-butyl-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c1-7(2)6-8-9(15(18)19)10(11(16)17)14(13-8)12(3,4)5/h7H,6H2,1-5H3,(H,16,17)