methyl 3-isocyanatobicyclo[2.2.2]oct-5-ene-2-carboxylate

Systemtic Name: methyl 3-isocyanatobicyclo[2.2.2]oct-5-ene-2-carboxylate Openeye Name: methyl 3-isocyanatobicyclo[2.2.2]oct-5-ene-2-carboxylate CAS Name: 3-isocyanato-2-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl 3-isocyanatobicyclo[2.2.2]oct-5-ene-2-carboxylate Traditional Name: 3-isocyanatobicyclo[2.2.2]oct-5-ene-2-carboxylic acid methyl ester Formula: C11H13NO3 MolecularWeight: 207.22582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(C1N=C=O)C=C2

Isomeric SMILES

COC(=O)C1C2CCC(C1N=C=O)C=C2

InChI

InChI=1S/C11H13NO3/c1-15-11(14)9-7-2-4-8(5-3-7)10(9)12-6-13/h2,4,7-10H,3,5H2,1H3