sodium 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoate

Systemtic Name: sodium 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoate Openeye Name: sodium 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoate CAS Name: sodium 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propanoate IUPAC Name: sodium 3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: sodium 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propionate Formula: C8H10ClN2NaO2 MolecularWeight: 224.61997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)[O-])C)Cl.[Na+]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)[O-])C)Cl.[Na+]

InChI

InChI=1S/C8H11ClN2O2.Na/c1-5-8(9)6(2)11(10-5)4-3-7(12)13;/h3-4H2,1-2H3,(H,12,13);/q;+1/p-1