3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanoate Openeye Name: 3-[3,5-dimethyl-4-(2-methylallyl)pyrazol-1-yl]propanoate CAS Name: 3-[3,5-dimethyl-4-(2-methylprop-2-enyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanoate Traditional Name: 3-[3,5-dimethyl-4-(2-methylallyl)pyrazol-1-yl]propionate Formula: C12H17N2O2- MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)[O-])C)CC(=C)C

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)[O-])C)CC(=C)C

InChI

InChI=1S/C12H18N2O2/c1-8(2)7-11-9(3)13-14(10(11)4)6-5-12(15)16/h1,5-7H2,2-4H3,(H,15,16)/p-1