5-cyclohexyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-cyclohexyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-cyclohexyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-cyclohexyl-4-nitro-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-cyclohexyl-4-nitro-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-cyclohexyl-4-nitro-2-propyl-pyrazole-3-carboxylic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C2CCCCC2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCN1C(=C(C(=N1)C2CCCCC2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H19N3O4/c1-2-8-15-12(13(17)18)11(16(19)20)10(14-15)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,17,18)