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

Systemtic Name: sodium (E)-[1-(4-carboxyphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(4-carboxyphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-carboxyphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(4-carboxyphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methanolate Formula: C12H9N2NaO4 MolecularWeight: 268.20063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4.Na/c1-7-10(6-15)11(16)14(13-7)9-4-2-8(3-5-9)12(17)18;/h2-6,15H,1H3,(H,17,18);/q;+1/p-1/b10-6+;