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

Systemtic Name: sodium (E)-[1-(4-acetamidophenyl)-3-ethoxy-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(4-acetamidophenyl)-3-ethoxy-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-acetamidophenyl)-3-ethoxy-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-acetamidophenyl)-3-ethoxy-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(4-acetamidophenyl)-3-ethoxy-5-keto-2-pyrazolin-4-ylidene]methanolate Formula: C14H14N3NaO4 MolecularWeight: 311.26843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4.Na/c1-3-21-13-12(8-18)14(20)17(16-13)11-6-4-10(5-7-11)15-9(2)19;/h4-8,18H,3H2,1-2H3,(H,15,19);/q;+1/p-1/b12-8+;