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

Systemtic Name: 4-bromanyl-2-(2-methylpropyl)-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-isobutyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-(2-methylpropyl)-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-(2-methylpropyl)-5-nitropyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-isobutyl-5-nitro-pyrazole-3-carboxylic acid Formula: C8H10BrN3O4 MolecularWeight: 292.0867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C8H10BrN3O4/c1-4(2)3-11-6(8(13)14)5(9)7(10-11)12(15)16/h4H,3H2,1-2H3,(H,13,14)