(1S,6R)-6-[bis(cyanomethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[bis(cyanomethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[bis(cyanomethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[bis(cyanomethyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[bis(cyanomethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[bis(cyanomethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C12H13N3O3/c13-5-7-15(8-6-14)11(16)9-3-1-2-4-10(9)12(17)18/h1-2,9-10H,3-4,7-8H2,(H,17,18)/t9-,10+/m1/s1