tert-butyl 5-isocyanoindole-1-carboxylate

Systemtic Name: tert-butyl 5-isocyanoindole-1-carboxylate Openeye Name: tert-butyl 5-isocyanoindole-1-carboxylate CAS Name: 5-isocyano-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-isocyanoindole-1-carboxylate Traditional Name: 5-isocyanoindole-1-carboxylic acid tert-butyl ester Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)[N+]#[C-]

InChI

InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-8-7-10-9-11(15-4)5-6-12(10)16/h5-9H,1-3H3