sodium (E)-[3-ethoxy-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-ethoxy-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-ethoxy-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-ethoxy-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-ethoxy-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[3-ethoxy-5-keto-1-(p-tolyl)-2-pyrazolin-4-ylidene]methanolate Formula: C13H13N2NaO3 MolecularWeight: 268.24369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=C[O-])C2=CC=C(C=C2)C.[Na+]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C/[O-])C2=CC=C(C=C2)C.[Na+]

InChI

InChI=1S/C13H14N2O3.Na/c1-3-18-12-11(8-16)13(17)15(14-12)10-6-4-9(2)5-7-10;/h4-8,16H,3H2,1-2H3;/q;+1/p-1/b11-8+;