2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoate

Systemtic Name: 2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoate Openeye Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoate CAS Name: 2,2-dicyano-3-(3-methyl-3-diazirinyl)propanoate IUPAC Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoate Traditional Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propionate Formula: C7H5N4O2- MolecularWeight: 177.1402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=N1)CC(C#N)(C#N)C(=O)[O-]

Isomeric SMILES

CC1(N=N1)CC(C#N)(C#N)C(=O)[O-]

InChI

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