3-[(6Z)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-ethenyl-2,5-dihydropyridin-4-yl]propan-1-ol

Systemtic Name: 3-[(6Z)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-ethenyl-2,5-dihydropyridin-4-yl]propan-1-ol Openeye Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-vinyl-2,5-dihydropyridin-4-yl]propan-1-ol CAS Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-ethenyl-2,5-dihydropyridin-4-yl]-1-propanol IUPAC Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-ethenyl-2,5-dihydropyridin-4-yl]propan-1-ol Traditional Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-vinyl-2,5-dihydropyridin-4-yl]propan-1-ol Formula: C20H26BrN2O6P MolecularWeight: 501.308001

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC(=CC(N1CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC(=CC(N1CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO)OC

InChI

InChI=1S/C20H26BrN2O6P/c1-4-16-8-14(6-5-7-24)9-20(22-30(25,26-2)27-3)23(16)12-15-10-18-19(11-17(15)21)29-13-28-18/h4,8,10-11,16,24H,1,5-7,9,12-13H2,2-3H3/b22-20-