5-butan-2-yl-4-nitro-2-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-butan-2-yl-4-nitro-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 4-nitro-2-propyl-5-sec-butyl-pyrazole-3-carboxylic acid CAS Name: 5-butan-2-yl-4-nitro-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butan-2-yl-4-nitro-2-propylpyrazole-3-carboxylic acid Traditional Name: 4-nitro-2-propyl-5-sec-butyl-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)CC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O4/c1-4-6-13-10(11(15)16)9(14(17)18)8(12-13)7(3)5-2/h7H,4-6H2,1-3H3,(H,15,16)