methyl 3-isocyanatoadamantane-1-carboxylate

Systemtic Name: methyl 3-isocyanatoadamantane-1-carboxylate Openeye Name: methyl 3-isocyanatoadamantane-1-carboxylate CAS Name: 3-isocyanato-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-isocyanatoadamantane-1-carboxylate Traditional Name: 3-isocyanatoadamantane-1-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)N=C=O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)N=C=O

InChI

InChI=1S/C13H17NO3/c1-17-11(16)12-3-9-2-10(4-12)6-13(5-9,7-12)14-8-15/h9-10H,2-7H2,1H3