2-methylbutan-2-yl 4-isocyanatobenzoate

Systemtic Name: 2-methylbutan-2-yl 4-isocyanatobenzoate Openeye Name: 1,1-dimethylpropyl 4-isocyanatobenzoate CAS Name: 4-isocyanatobenzoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 4-isocyanatobenzoate Traditional Name: 4-isocyanatobenzoic acid tert-amyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CCC(C)(C)OC(=O)C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C13H15NO3/c1-4-13(2,3)17-12(16)10-5-7-11(8-6-10)14-9-15/h5-8H,4H2,1-3H3