2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoic acid

Systemtic Name: 2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoic acid Openeye Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoic acid CAS Name: 2,2-dicyano-3-(3-methyl-3-diazirinyl)propanoic acid IUPAC Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoic acid Traditional Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propionic acid Formula: C7H6N4O2 MolecularWeight: 178.14814

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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)