[(1S,4S,5S)-4-isocyanato-5-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,4S,5S)-4-isocyanato-5-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4S,5S)-5-tert-butoxy-4-isocyanato-cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4S,5S)-4-isocyanato-5-[(2-methylpropan-2-yl)oxy]-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4S,5S)-4-isocyanato-5-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4S,5S)-5-tert-butoxy-4-isocyanato-cyclopent-2-en-1-yl]methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C=CC(C1OC(C)(C)C)N=C=O

Isomeric SMILES

CC(=O)OC[C@@H]1C=C[C@@H]([C@H]1OC(C)(C)C)N=C=O

InChI

InChI=1S/C13H19NO4/c1-9(16)17-7-10-5-6-11(14-8-15)12(10)18-13(2,3)4/h5-6,10-12H,7H2,1-4H3/t10-,11-,12-/m0/s1