[5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] butanoate

Systemtic Name: [5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] butanoate Openeye Name: [5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)-3-oxo-cyclohexen-1-yl] butanoate CAS Name: butanoic acid [5-(5-methoxy-1,3-dimethyl-4-pyrazolyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-oxocyclohexen-1-yl] butanoate Traditional Name: butyric acid [3-keto-5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)cyclohexen-1-yl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=O)CC(C1)C2=C(N(N=C2C)C)OC

Isomeric SMILES

CCCC(=O)OC1=CC(=O)CC(C1)C2=C(N(N=C2C)C)OC

InChI

InChI=1S/C16H22N2O4/c1-5-6-14(20)22-13-8-11(7-12(19)9-13)15-10(2)17-18(3)16(15)21-4/h9,11H,5-8H2,1-4H3