sodium 3-(1,1-dicyanopropyl)-1,2-diazirine-3-carboxylate

Systemtic Name: sodium 3-(1,1-dicyanopropyl)-1,2-diazirine-3-carboxylate Openeye Name: sodium 3-(1,1-dicyanopropyl)diazirine-3-carboxylate CAS Name: sodium 3-(1,1-dicyanopropyl)-3-diazirinecarboxylate IUPAC Name: sodium 3-(1,1-dicyanopropyl)diazirine-3-carboxylate Traditional Name: sodium 3-(1,1-dicyanopropyl)diazirine-3-carboxylate Formula: C7H5N4NaO2 MolecularWeight: 200.12997

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C#N)C1(N=N1)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C#N)(C#N)C1(N=N1)C(=O)[O-].[Na+]

InChI

InChI=1S/C7H6N4O2.Na/c1-2-6(3-8,4-9)7(5(12)13)10-11-7;/h2H2,1H3,(H,12,13);/q;+1/p-1