N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-4-diethoxyphosphoryl-oxazol-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-4-diethoxyphosphoryl-5-oxazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine Traditional Name: [2-(4-bromophenyl)-4-diethoxyphosphoryl-oxazol-5-yl]-piperonyl-amine Formula: C21H22BrN2O6P MolecularWeight: 509.286941

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)Br)NCC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)Br)NCC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C21H22BrN2O6P/c1-3-28-31(25,29-4-2)21-20(30-19(24-21)15-6-8-16(22)9-7-15)23-12-14-5-10-17-18(11-14)27-13-26-17/h5-11,23H,3-4,12-13H2,1-2H3