sodium (E)-[3-(dimethylamino)-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-(dimethylamino)-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-(dimethylamino)-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-(dimethylamino)-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-(dimethylamino)-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[3-(dimethylamino)-5-keto-1-(p-tolyl)-2-pyrazolin-4-ylidene]methanolate Formula: C13H14N3NaO2 MolecularWeight: 267.25893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)N(C)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)N(C)C.[Na+]

InChI

InChI=1S/C13H15N3O2.Na/c1-9-4-6-10(7-5-9)16-13(18)11(8-17)12(14-16)15(2)3;/h4-8,17H,1-3H3;/q;+1/p-1/b11-8+;