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

Systemtic Name: sodium (E)-[1-(4-methylphenyl)-5-oxidanylidene-3-pyrrolidin-1-yl-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[5-oxo-1-(p-tolyl)-3-pyrrolidin-1-yl-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-methylphenyl)-5-oxo-3-(1-pyrrolidinyl)-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-methylphenyl)-5-oxo-3-pyrrolidin-1-ylpyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-1-(p-tolyl)-3-pyrrolidino-2-pyrazolin-4-ylidene]methanolate Formula: C15H16N3NaO2 MolecularWeight: 293.29621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)N3CCCC3.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)N3CCCC3.[Na+]

InChI

InChI=1S/C15H17N3O2.Na/c1-11-4-6-12(7-5-11)18-15(20)13(10-19)14(16-18)17-8-2-3-9-17;/h4-7,10,19H,2-3,8-9H2,1H3;/q;+1/p-1/b13-10+;