5-[(2R)-2-isocyanato-2-phenyl-ethyl]-1,3-benzodioxole

Systemtic Name: 5-[(2R)-2-isocyanato-2-phenyl-ethyl]-1,3-benzodioxole Openeye Name: 5-[(2R)-2-isocyanato-2-phenyl-ethyl]-1,3-benzodioxole CAS Name: 5-[(2R)-2-isocyanato-2-phenylethyl]-1,3-benzodioxole IUPAC Name: 5-[(2R)-2-isocyanato-2-phenylethyl]-1,3-benzodioxole Traditional Name: 5-[(2R)-2-isocyanato-2-phenyl-ethyl]-1,3-benzodioxole Formula: C16H13NO3 MolecularWeight: 267.27932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C3=CC=CC=C3)N=C=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@H](C3=CC=CC=C3)N=C=O

InChI

InChI=1S/C16H13NO3/c18-10-17-14(13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)20-11-19-15/h1-7,9,14H,8,11H2/t14-/m1/s1