3-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: 3-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: 3-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-4-pyrazolyl]propanoate IUPAC Name: 3-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]propionate Formula: C15H16ClN2O2- MolecularWeight: 291.75274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)[O-])C)Cl

InChI

InChI=1S/C15H17ClN2O2/c1-9-4-5-12(8-14(9)16)18-11(3)13(10(2)17-18)6-7-15(19)20/h4-5,8H,6-7H2,1-3H3,(H,19,20)/p-1