5-[(2S)-2-(4-chlorophenyl)-2-isocyanato-ethyl]-1,3-benzodioxole

Systemtic Name: 5-[(2S)-2-(4-chlorophenyl)-2-isocyanato-ethyl]-1,3-benzodioxole Openeye Name: 5-[(2S)-2-(4-chlorophenyl)-2-isocyanato-ethyl]-1,3-benzodioxole CAS Name: 5-[(2S)-2-(4-chlorophenyl)-2-isocyanatoethyl]-1,3-benzodioxole IUPAC Name: 5-[(2S)-2-(4-chlorophenyl)-2-isocyanatoethyl]-1,3-benzodioxole Traditional Name: 5-[(2S)-2-(4-chlorophenyl)-2-isocyanato-ethyl]-1,3-benzodioxole Formula: C16H12ClNO3 MolecularWeight: 301.72438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO3/c17-13-4-2-12(3-5-13)14(18-9-19)7-11-1-6-15-16(8-11)21-10-20-15/h1-6,8,14H,7,10H2/t14-/m0/s1