tert-butyl N-[4-(isocyanatomethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-(isocyanatomethyl)phenyl]carbamate Openeye Name: tert-butyl N-[4-(isocyanatomethyl)phenyl]carbamate CAS Name: N-[4-(isocyanatomethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(isocyanatomethyl)phenyl]carbamate Traditional Name: N-[4-(isocyanatomethyl)phenyl]carbamic acid tert-butyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN=C=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN=C=O

InChI

InChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)15-11-6-4-10(5-7-11)8-14-9-16/h4-7H,8H2,1-3H3,(H,15,17)