sodium 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: sodium 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: sodium 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-5-methyl-pyrazole-3-carboxylate CAS Name: sodium 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-methyl-3-pyrazolecarboxylate IUPAC Name: sodium 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate Traditional Name: sodium 1-(2-benzoxy-5-bromo-benzyl)-5-methyl-pyrazole-3-carboxylate Formula: C19H16BrN2NaO3 MolecularWeight: 423.23571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H17BrN2O3.Na/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14;/h2-10H,11-12H2,1H3,(H,23,24);/q;+1/p-1