sodium (Z)-[5-oxidanylidene-1-pyridin-4-yl-2-(trifluoromethyl)imidazol-4-ylidene]methanolate

Systemtic Name: sodium (Z)-[5-oxidanylidene-1-pyridin-4-yl-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Openeye Name: sodium (Z)-[5-oxo-1-(4-pyridyl)-2-(trifluoromethyl)imidazol-4-ylidene]methanolate CAS Name: sodium (Z)-[5-oxo-1-pyridin-4-yl-2-(trifluoromethyl)-4-imidazolylidene]methanolate IUPAC Name: sodium (Z)-[5-oxo-1-pyridin-4-yl-2-(trifluoromethyl)imidazol-4-ylidene]methanolate Traditional Name: sodium (Z)-[5-keto-1-(4-pyridyl)-2-(trifluoromethyl)-2-imidazolin-4-ylidene]methanolate Formula: C10H5F3N3NaO2 MolecularWeight: 279.15058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1N2C(=O)C(=C[O-])N=C2C(F)(F)F.[Na+]

Isomeric SMILES

C1=CN=CC=C1N2C(=O)/C(=C/[O-])/N=C2C(F)(F)F.[Na+]

InChI

InChI=1S/C10H6F3N3O2.Na/c11-10(12,13)9-15-7(5-17)8(18)16(9)6-1-3-14-4-2-6;/h1-5,17H;/q;+1/p-1/b7-5-;