sodium 3-(1,4-diphenylpyrazol-3-yl)propanoate

Systemtic Name: sodium 3-(1,4-diphenylpyrazol-3-yl)propanoate Openeye Name: sodium 3-(1,4-diphenylpyrazol-3-yl)propanoate CAS Name: sodium 3-(1,4-diphenyl-3-pyrazolyl)propanoate IUPAC Name: sodium 3-(1,4-diphenylpyrazol-3-yl)propanoate Traditional Name: sodium 3-(1,4-diphenylpyrazol-3-yl)propionate Formula: C18H15N2NaO2 MolecularWeight: 314.31367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(N=C2CCC(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(N=C2CCC(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C18H16N2O2.Na/c21-18(22)12-11-17-16(14-7-3-1-4-8-14)13-20(19-17)15-9-5-2-6-10-15;/h1-10,13H,11-12H2,(H,21,22);/q;+1/p-1