tert-butyl 2-cyano-2-isocyano-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-cyano-2-isocyano-3-phenyl-propanoate Openeye Name: tert-butyl 2-cyano-2-isocyano-3-phenyl-propanoate CAS Name: 2-cyano-2-isocyano-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-isocyano-3-phenylpropanoate Traditional Name: 2-cyano-2-isocyano-3-phenyl-propionic acid tert-butyl ester Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)(C#N)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)(C#N)[N+]#[C-]

InChI

InChI=1S/C15H16N2O2/c1-14(2,3)19-13(18)15(11-16,17-4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-3H3