5-bromanyl-6-(1-isocyanoethyl)-1,3-benzodioxole

Systemtic Name: 5-bromanyl-6-(1-isocyanoethyl)-1,3-benzodioxole Openeye Name: 5-bromo-6-(1-isocyanoethyl)-1,3-benzodioxole CAS Name: 5-bromo-6-(1-isocyanoethyl)-1,3-benzodioxole IUPAC Name: 5-bromo-6-(1-isocyanoethyl)-1,3-benzodioxole Traditional Name: 5-bromo-6-(1-isocyanoethyl)-1,3-benzodioxole Formula: C10H8BrNO2 MolecularWeight: 254.08002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1Br)OCO2)[N+]#[C-]

Isomeric SMILES

CC(C1=CC2=C(C=C1Br)OCO2)[N+]#[C-]

InChI

InChI=1S/C10H8BrNO2/c1-6(12-2)7-3-9-10(4-8(7)11)14-5-13-9/h3-4,6H,5H2,1H3