3-(1-cyanopropan-2-yl)-1,2-diazirine-3-carboxylic acid

Systemtic Name: 3-(1-cyanopropan-2-yl)-1,2-diazirine-3-carboxylic acid Openeye Name: 3-(2-cyano-1-methyl-ethyl)diazirine-3-carboxylic acid CAS Name: 3-(1-cyanopropan-2-yl)-3-diazirinecarboxylic acid IUPAC Name: 3-(1-cyanopropan-2-yl)diazirine-3-carboxylic acid Traditional Name: 3-(2-cyano-1-methyl-ethyl)diazirine-3-carboxylic acid Formula: C6H7N3O2 MolecularWeight: 153.13868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C1(N=N1)C(=O)O

Isomeric SMILES

CC(CC#N)C1(N=N1)C(=O)O

InChI

InChI=1S/C6H7N3O2/c1-4(2-3-7)6(5(10)11)8-9-6/h4H,2H2,1H3,(H,10,11)