sodium (E)-[3-methoxy-1-(1-methylbenzimidazol-2-yl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-methoxy-1-(1-methylbenzimidazol-2-yl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-methoxy-1-(1-methylbenzimidazol-2-yl)-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methoxy-1-(1-methyl-2-benzimidazolyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-methoxy-1-(1-methylbenzimidazol-2-yl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-methoxy-1-(1-methylbenzimidazol-2-yl)-2-pyrazolin-4-ylidene]methanolate Formula: C13H11N4NaO3 MolecularWeight: 294.24121

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3C(=O)C(=C[O-])C(=N3)OC.[Na+]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3C(=O)/C(=C/[O-])/C(=N3)OC.[Na+]

InChI

InChI=1S/C13H12N4O3.Na/c1-16-10-6-4-3-5-9(10)14-13(16)17-12(19)8(7-18)11(15-17)20-2;/h3-7,18H,1-2H3;/q;+1/p-1/b8-7+;