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

Systemtic Name: tert-butyl 2-cyano-2-isocyano-3-oxidanylidene-3-phenyl-propanoate Openeye Name: tert-butyl 2-cyano-2-isocyano-3-oxo-3-phenyl-propanoate CAS Name: 2-cyano-2-isocyano-3-oxo-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-isocyano-3-oxo-3-phenylpropanoate Traditional Name: 2-cyano-2-isocyano-3-keto-3-phenyl-propionic acid tert-butyl ester Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3/c1-14(2,3)20-13(19)15(10-16,17-4)12(18)11-8-6-5-7-9-11/h5-9H,1-3H3