5-[(1R,6S)-6-isocyanatocyclohex-2-en-1-yl]-1,3-benzodioxole

Systemtic Name: 5-[(1R,6S)-6-isocyanatocyclohex-2-en-1-yl]-1,3-benzodioxole Openeye Name: 5-[(1R,6S)-6-isocyanatocyclohex-2-en-1-yl]-1,3-benzodioxole CAS Name: 5-[(1R,6S)-6-isocyanato-1-cyclohex-2-enyl]-1,3-benzodioxole IUPAC Name: 5-[(1R,6S)-6-isocyanatocyclohex-2-en-1-yl]-1,3-benzodioxole Traditional Name: 5-[(1R,6S)-6-isocyanatocyclohex-2-en-1-yl]-1,3-benzodioxole Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C=C1)C2=CC3=C(C=C2)OCO3)N=C=O

Isomeric SMILES

C1C[C@@H]([C@H](C=C1)C2=CC3=C(C=C2)OCO3)N=C=O

InChI

InChI=1S/C14H13NO3/c16-8-15-12-4-2-1-3-11(12)10-5-6-13-14(7-10)18-9-17-13/h1,3,5-7,11-12H,2,4,9H2/t11-,12+/m1/s1