sodium (E)-(3-azanylidene-1,2-ditert-butyl-5-oxidanylidene-pyrazolidin-4-ylidene)-methoxy-methanolate

Systemtic Name: sodium (E)-(3-azanylidene-1,2-ditert-butyl-5-oxidanylidene-pyrazolidin-4-ylidene)-methoxy-methanolate Openeye Name: sodium (E)-(1,2-ditert-butyl-3-imino-5-oxo-pyrazolidin-4-ylidene)-methoxy-methanolate CAS Name: sodium (E)-(1,2-ditert-butyl-3-imino-5-oxo-4-pyrazolidinylidene)-methoxymethanolate IUPAC Name: sodium (E)-(1,2-ditert-butyl-3-imino-5-oxopyrazolidin-4-ylidene)-methoxymethanolate Traditional Name: sodium (E)-(1,2-ditert-butyl-3-imino-5-keto-pyrazolidin-4-ylidene)-methoxy-methanolate Formula: C13H22N3NaO3 MolecularWeight: 291.32185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=N)C(=C([O-])OC)C(=O)N1C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)N1C(=N)/C(=C(/[O-])\OC)/C(=O)N1C(C)(C)C.[Na+]

InChI

InChI=1S/C13H23N3O3.Na/c1-12(2,3)15-9(14)8(11(18)19-7)10(17)16(15)13(4,5)6;/h14,18H,1-7H3;/q;+1/p-1/b11-8+,14-9?;