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5-(cyclohexylmethyl)-4-nitro-2-propyl-pyrazole-3-carboxylic acid

5-(cyclohexylmethyl)-4-nitro-2-propyl-pyrazole-3-carboxylic acid

Systemtic Name:5-(cyclohexylmethyl)-4-nitro-2-propyl-pyrazole-3-carboxylic acid
Openeye Name:5-(cyclohexylmethyl)-4-nitro-2-propyl-pyrazole-3-carboxylic acid
CAS Name:5-(cyclohexylmethyl)-4-nitro-2-propyl-3-pyrazolecarboxylic acid
IUPAC Name:5-(cyclohexylmethyl)-4-nitro-2-propylpyrazole-3-carboxylic acid
Traditional Name:5-(cyclohexylmethyl)-4-nitro-2-propyl-pyrazole-3-carboxylic acid
Formula: C14H21N3O4
MolecularWeight: 295.33424
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2CCCCC2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CCCN1C(=C(C(=N1)CC2CCCCC2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C14H21N3O4/c1-2-8-16-13(14(18)19)12(17(20)21)11(15-16)9-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,18,19)


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