methyl 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylate

Systemtic Name: methyl 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylate Openeye Name: methyl 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylate CAS Name: 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylate Traditional Name: 4-isocyanato-1,3,3a,4,5,6-hexahydroisoindole-2-carboxylic acid methyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2C(CCC=C2C1)N=C=O

Isomeric SMILES

COC(=O)N1CC2C(CCC=C2C1)N=C=O

InChI

InChI=1S/C11H14N2O3/c1-16-11(15)13-5-8-3-2-4-10(12-7-14)9(8)6-13/h3,9-10H,2,4-6H2,1H3