4-chloranyl-5-nitro-2-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-5-nitro-2-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-chloro-2-isopropyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 4-chloro-5-nitro-2-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-5-nitro-2-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 4-chloro-2-isopropyl-5-nitro-pyrazole-3-carboxylic acid Formula: C7H8ClN3O4 MolecularWeight: 233.60912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC(C)N1C(=C(C(=N1)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C7H8ClN3O4/c1-3(2)10-5(7(12)13)4(8)6(9-10)11(14)15/h3H,1-2H3,(H,12,13)