6-[(2S)-1-isocyanatopropan-2-yl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(2S)-1-isocyanatopropan-2-yl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(1S)-2-isocyanato-1-methyl-ethyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(2S)-1-isocyanatopropan-2-yl]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(2S)-1-isocyanatopropan-2-yl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(1S)-2-isocyanato-1-methyl-ethyl]-2,3-dihydro-1,4-benzodioxin Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@H](CN=C=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C12H13NO3/c1-9(7-13-8-14)10-2-3-11-12(6-10)16-5-4-15-11/h2-3,6,9H,4-5,7H2,1H3/t9-/m1/s1