[5-(2-methylpyrazol-3-yl)-3-oxidanylidene-cyclohexen-1-yl] propanoate

Systemtic Name: [5-(2-methylpyrazol-3-yl)-3-oxidanylidene-cyclohexen-1-yl] propanoate Openeye Name: [5-(2-methylpyrazol-3-yl)-3-oxo-cyclohexen-1-yl] propanoate CAS Name: propanoic acid [5-(2-methyl-3-pyrazolyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(2-methylpyrazol-3-yl)-3-oxocyclohexen-1-yl] propanoate Traditional Name: propionic acid [3-keto-5-(2-methylpyrazol-3-yl)cyclohexen-1-yl] ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=O)CC(C1)C2=CC=NN2C

Isomeric SMILES

CCC(=O)OC1=CC(=O)CC(C1)C2=CC=NN2C

InChI

InChI=1S/C13H16N2O3/c1-3-13(17)18-11-7-9(6-10(16)8-11)12-4-5-14-15(12)2/h4-5,8-9H,3,6-7H2,1-2H3