(phenylmethyl) 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyano-ethanoate

Systemtic Name: (phenylmethyl) 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyano-ethanoate Openeye Name: benzyl 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyano-acetate CAS Name: 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyanoacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyanoacetate Traditional Name: 2-(2,2-dimethyl-1,3-dioxan-5-yl)-2-isocyano-acetic acid benzyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)C(C(=O)OCC2=CC=CC=C2)[N+]#[C-])C

Isomeric SMILES

CC1(OCC(CO1)C(C(=O)OCC2=CC=CC=C2)[N+]#[C-])C

InChI

InChI=1S/C16H19NO4/c1-16(2)20-10-13(11-21-16)14(17-3)15(18)19-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-2H3