5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(1-azocanyl)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(azocan-1-yl)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C13H20N3O2- MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])N2CCCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])N2CCCCCCC2)C

InChI

InChI=1S/C13H21N3O2/c1-10-11(13(17)18)12(15(2)14-10)16-8-6-4-3-5-7-9-16/h3-9H2,1-2H3,(H,17,18)/p-1