sodium 1-[(5-chloranyl-2-cyclopropyl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: sodium 1-[(5-chloranyl-2-cyclopropyl-1-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: sodium 1-[(5-chloro-2-cyclopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylate CAS Name: sodium 1-[(5-chloro-2-cyclopropyl-7-benzofuranyl)methyl]-5-methyl-3-pyrazolecarboxylate IUPAC Name: sodium 1-[(5-chloro-2-cyclopropyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylate Traditional Name: sodium 1-[(5-chloro-2-cyclopropyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxylate Formula: C17H14ClN2NaO3 MolecularWeight: 352.74743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4CC4)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4CC4)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15ClN2O3.Na/c1-9-4-14(17(21)22)19-20(9)8-12-6-13(18)5-11-7-15(10-2-3-10)23-16(11)12;/h4-7,10H,2-3,8H2,1H3,(H,21,22);/q;+1/p-1