[5-(1-methylpyrazol-4-yl)cyclohexen-1-yl] 3-oxidanylidenepropanoate

Systemtic Name: [5-(1-methylpyrazol-4-yl)cyclohexen-1-yl] 3-oxidanylidenepropanoate Openeye Name: [5-(1-methylpyrazol-4-yl)cyclohexen-1-yl] 3-oxopropanoate CAS Name: 3-oxopropanoic acid [5-(1-methyl-4-pyrazolyl)-1-cyclohexenyl] ester IUPAC Name: [5-(1-methylpyrazol-4-yl)cyclohexen-1-yl] 3-oxopropanoate Traditional Name: 3-ketopropionic acid [5-(1-methylpyrazol-4-yl)cyclohexen-1-yl] ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2CCC=C(C2)OC(=O)CC=O

Isomeric SMILES

CN1C=C(C=N1)C2CCC=C(C2)OC(=O)CC=O

InChI

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