sodium 5-methoxycarbonyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: sodium 5-methoxycarbonyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: sodium 5-methoxycarbonyl-2-(p-tolyl)-3,4-dihydropyrazole-3-carboxylate CAS Name: sodium 5-methoxycarbonyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3-carboxylate IUPAC Name: sodium 5-methoxycarbonyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3-carboxylate Traditional Name: sodium 5-carbomethoxy-2-(p-tolyl)-2-pyrazoline-3-carboxylate Formula: C13H13N2NaO4 MolecularWeight: 284.24309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(CC(=N2)C(=O)OC)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(CC(=N2)C(=O)OC)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N2O4.Na/c1-8-3-5-9(6-4-8)15-11(12(16)17)7-10(14-15)13(18)19-2;/h3-6,11H,7H2,1-2H3,(H,16,17);/q;+1/p-1