sodium (E)-[1-(4-acetamidophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[1-(4-acetamidophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(4-acetamidophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-acetamidophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-acetamidophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(4-acetamidophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methanolate Formula: C13H12N3NaO3 MolecularWeight: 281.24245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C[O-])C2=CC=C(C=C2)NC(=O)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3.Na/c1-8-12(7-17)13(19)16(15-8)11-5-3-10(4-6-11)14-9(2)18;/h3-7,17H,1-2H3,(H,14,18);/q;+1/p-1/b12-7+;