(2-methyloxiran-2-yl)methyl 4-butan-2-yl-2-isocyano-benzoate

Systemtic Name: (2-methyloxiran-2-yl)methyl 4-butan-2-yl-2-isocyano-benzoate Openeye Name: (2-methyloxiran-2-yl)methyl 2-isocyano-4-sec-butyl-benzoate CAS Name: 4-butan-2-yl-2-isocyanobenzoic acid (2-methyl-2-oxiranyl)methyl ester IUPAC Name: (2-methyloxiran-2-yl)methyl 4-butan-2-yl-2-isocyanobenzoate Traditional Name: 2-isocyano-4-sec-butyl-benzoic acid (2-methyloxiran-2-yl)methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)C(=O)OCC2(CO2)C)[N+]#[C-]

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)C(=O)OCC2(CO2)C)[N+]#[C-]

InChI

InChI=1S/C16H19NO3/c1-5-11(2)12-6-7-13(14(8-12)17-4)15(18)19-9-16(3)10-20-16/h6-8,11H,5,9-10H2,1-3H3