5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole

Systemtic Name: 5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole Openeye Name: 5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole CAS Name: 5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole IUPAC Name: 5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole Traditional Name: 5-(1-isocyanatobut-3-enyl)-1,3-benzodioxole Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC2=C(C=C1)OCO2)N=C=O

Isomeric SMILES

C=CCC(C1=CC2=C(C=C1)OCO2)N=C=O

InChI

InChI=1S/C12H11NO3/c1-2-3-10(13-7-14)9-4-5-11-12(6-9)16-8-15-11/h2,4-6,10H,1,3,8H2