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

Systemtic Name: sodium 1-[1-(5-chloranyl-2-phenylmethoxy-phenyl)ethyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: sodium 1-[1-(2-benzyloxy-5-chloro-phenyl)ethyl]-5-methyl-pyrazole-3-carboxylate CAS Name: sodium 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethyl]-5-methyl-3-pyrazolecarboxylate IUPAC Name: sodium 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethyl]-5-methylpyrazole-3-carboxylate Traditional Name: sodium 1-[1-(2-benzoxy-5-chloro-phenyl)ethyl]-5-methyl-pyrazole-3-carboxylate Formula: C20H18ClN2NaO3 MolecularWeight: 392.81129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NN1C(C)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H19ClN2O3.Na/c1-13-10-18(20(24)25)22-23(13)14(2)17-11-16(21)8-9-19(17)26-12-15-6-4-3-5-7-15;/h3-11,14H,12H2,1-2H3,(H,24,25);/q;+1/p-1