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

Systemtic Name: 5-[(2S)-2-isocyanato-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole Openeye Name: 5-[(2S)-2-isocyanato-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole CAS Name: 5-[(2S)-2-isocyanato-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole IUPAC Name: 5-[(2S)-2-isocyanato-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole Traditional Name: 5-[(2S)-2-isocyanato-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC3=C(C=C2)OCO3)N=C=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=CC3=C(C=C2)OCO3)N=C=O

InChI

InChI=1S/C17H15NO4/c1-20-14-5-3-13(4-6-14)15(18-10-19)8-12-2-7-16-17(9-12)22-11-21-16/h2-7,9,15H,8,11H2,1H3/t15-/m0/s1