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

Systemtic Name: sodium 1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyrazole-3-carboxylate Openeye Name: sodium 1-[(2-benzyloxy-5-chloro-phenyl)methyl]pyrazole-3-carboxylate CAS Name: sodium 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-3-pyrazolecarboxylate IUPAC Name: sodium 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazole-3-carboxylate Traditional Name: sodium 1-(2-benzoxy-5-chloro-benzyl)pyrazole-3-carboxylate Formula: C18H14ClN2NaO3 MolecularWeight: 364.75813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CN3C=CC(=N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CN3C=CC(=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H15ClN2O3.Na/c19-15-6-7-17(24-12-13-4-2-1-3-5-13)14(10-15)11-21-9-8-16(20-21)18(22)23;/h1-10H,11-12H2,(H,22,23);/q;+1/p-1