5-tert-butyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-4-nitro-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-4-nitro-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H17N3O4/c1-5-6-13-8(10(15)16)7(14(17)18)9(12-13)11(2,3)4/h5-6H2,1-4H3,(H,15,16)