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

Systemtic Name: 5-cyclohexyl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 5-cyclohexyl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 5-cyclohexyl-2-ethyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 5-cyclohexyl-2-ethyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 5-cyclohexyl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2CCCCC2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)C2CCCCC2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H17N3O4/c1-2-14-11(12(16)17)10(15(18)19)9(13-14)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,16,17)