3-[5-(1,3-dimethylpyrazol-4-yl)cyclohexen-1-yl]propanoate

Systemtic Name: 3-[5-(1,3-dimethylpyrazol-4-yl)cyclohexen-1-yl]propanoate Openeye Name: 3-[5-(1,3-dimethylpyrazol-4-yl)cyclohexen-1-yl]propanoate CAS Name: 3-[5-(1,3-dimethyl-4-pyrazolyl)-1-cyclohexenyl]propanoate IUPAC Name: 3-[5-(1,3-dimethylpyrazol-4-yl)cyclohexen-1-yl]propanoate Traditional Name: 3-[5-(1,3-dimethylpyrazol-4-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=C1C2CCC=C(C2)CCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C2CCC=C(C2)CCC(=O)[O-])C

InChI

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