(1S,2R)-2-[bis(cyanomethyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[bis(cyanomethyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[bis(cyanomethyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[bis(cyanomethyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[bis(cyanomethyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[bis(cyanomethyl)carbamoyl]cyclohexanecarboxylate Formula: C12H14N3O3- MolecularWeight: 248.25786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N(CC#N)CC#N)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N(CC#N)CC#N)C(=O)[O-]

InChI

InChI=1S/C12H15N3O3/c13-5-7-15(8-6-14)11(16)9-3-1-2-4-10(9)12(17)18/h9-10H,1-4,7-8H2,(H,17,18)/p-1/t9-,10+/m1/s1