sodium (E)-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)methanolate

Systemtic Name: sodium (E)-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)methanolate Openeye Name: sodium (E)-(1,3-dimethyl-5-oxo-pyrazol-4-ylidene)methanolate CAS Name: sodium (E)-(1,3-dimethyl-5-oxo-4-pyrazolylidene)methanolate IUPAC Name: sodium (E)-(1,3-dimethyl-5-oxopyrazol-4-ylidene)methanolate Traditional Name: sodium (E)-(5-keto-1,3-dimethyl-2-pyrazolin-4-ylidene)methanolate Formula: C6H7N2NaO2 MolecularWeight: 162.12175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C[O-])C.[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/[O-])C.[Na+]

InChI

InChI=1S/C6H8N2O2.Na/c1-4-5(3-9)6(10)8(2)7-4;/h3,9H,1-2H3;/q;+1/p-1/b5-3+;