[5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] propanoate

Systemtic Name: [5-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] propanoate Openeye Name: [5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-3-oxo-cyclohexen-1-yl] propanoate CAS Name: propanoic acid [5-(5-chloro-1,3-dimethyl-4-pyrazolyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-oxocyclohexen-1-yl] propanoate Traditional Name: propionic acid [5-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-3-keto-cyclohexen-1-yl] ester Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3/c1-4-12(19)20-11-6-9(5-10(18)7-11)13-8(2)16-17(3)14(13)15/h7,9H,4-6H2,1-3H3