3-(6-bromanyl-1,3-benzodioxol-5-yl)-3-oxidanyl-3-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: 3-(6-bromanyl-1,3-benzodioxol-5-yl)-3-oxidanyl-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C19H18BrNO6 MolecularWeight: 436.25332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC#N)(C2=CC3=C(C=C2Br)OCO3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC#N)(C2=CC3=C(C=C2Br)OCO3)O

InChI

InChI=1S/C19H18BrNO6/c1-23-16-6-11(7-17(24-2)18(16)25-3)19(22,4-5-21)12-8-14-15(9-13(12)20)27-10-26-14/h6-9,22H,4,10H2,1-3H3