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

Systemtic Name: [5-(1,3-dimethylpyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] propanoate Openeye Name: [5-(1,3-dimethylpyrazol-4-yl)-3-oxo-cyclohexen-1-yl] propanoate CAS Name: propanoic acid [5-(1,3-dimethyl-4-pyrazolyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(1,3-dimethylpyrazol-4-yl)-3-oxocyclohexen-1-yl] propanoate Traditional Name: propionic acid [5-(1,3-dimethylpyrazol-4-yl)-3-keto-cyclohexen-1-yl] ester Formula: C14H18N2O3 MolecularWeight: 262.30432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=O)CC(C1)C2=CN(N=C2C)C

Isomeric SMILES

CCC(=O)OC1=CC(=O)CC(C1)C2=CN(N=C2C)C

InChI

InChI=1S/C14H18N2O3/c1-4-14(18)19-12-6-10(5-11(17)7-12)13-8-16(3)15-9(13)2/h7-8,10H,4-6H2,1-3H3