3-[5-(2,5-dimethylpyrazol-3-yl)cyclohexen-1-yl]propanoate

Systemtic Name: 3-[5-(2,5-dimethylpyrazol-3-yl)cyclohexen-1-yl]propanoate Openeye Name: 3-[5-(2,5-dimethylpyrazol-3-yl)cyclohexen-1-yl]propanoate CAS Name: 3-[5-(2,5-dimethyl-3-pyrazolyl)-1-cyclohexenyl]propanoate IUPAC Name: 3-[5-(2,5-dimethylpyrazol-3-yl)cyclohexen-1-yl]propanoate Traditional Name: 3-[5-(2,5-dimethylpyrazol-3-yl)cyclohexen-1-yl]propionate Formula: C14H19N2O2- MolecularWeight: 247.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2CCC=C(C2)CCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)C2CCC=C(C2)CCC(=O)[O-])C

InChI

InChI=1S/C14H20N2O2/c1-10-8-13(16(2)15-10)12-5-3-4-11(9-12)6-7-14(17)18/h4,8,12H,3,5-7,9H2,1-2H3,(H,17,18)/p-1