tert-butyl 4-butan-2-yl-2-isocyano-benzoate

Systemtic Name: tert-butyl 4-butan-2-yl-2-isocyano-benzoate Openeye Name: tert-butyl 2-isocyano-4-sec-butyl-benzoate CAS Name: 4-butan-2-yl-2-isocyanobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-butan-2-yl-2-isocyanobenzoate Traditional Name: 2-isocyano-4-sec-butyl-benzoic acid tert-butyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-7-11(2)12-8-9-13(14(10-12)17-6)15(18)19-16(3,4)5/h8-11H,7H2,1-5H3