1-tert-butyl-4-(2-isocyanatoethynyl)benzene

Systemtic Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene Openeye Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene CAS Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene IUPAC Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene Traditional Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene Formula: C13H13NO MolecularWeight: 199.24842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C#CN=C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C#CN=C=O

InChI

InChI=1S/C13H13NO/c1-13(2,3)12-6-4-11(5-7-12)8-9-14-10-15/h4-7H,1-3H3