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

Systemtic Name: sodium (E)-[3-(methylamino)-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-(methylamino)-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-(methylamino)-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-(methylamino)-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-(methylamino)-1-(p-tolyl)-2-pyrazolin-4-ylidene]methanolate Formula: C12H12N3NaO2 MolecularWeight: 253.23235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2.Na/c1-8-3-5-9(6-4-8)15-12(17)10(7-16)11(13-2)14-15;/h3-7,16H,1-2H3,(H,13,14);/q;+1/p-1/b10-7+;