2-[2-(1,3-benzodioxol-5-yl)ethyl-diethoxyphosphoryl-amino]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-diethoxyphosphoryl-amino]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-diethoxyphosphoryl-amino]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-diethoxyphosphorylamino]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-diethoxyphosphorylamino]acetic acid Traditional Name: 2-[diethoxyphosphoryl(homopiperonyl)amino]acetic acid Formula: C15H22NO7P MolecularWeight: 359.311441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N(CCC1=CC2=C(C=C1)OCO2)CC(=O)O)OCC

Isomeric SMILES

CCOP(=O)(N(CCC1=CC2=C(C=C1)OCO2)CC(=O)O)OCC

InChI

InChI=1S/C15H22NO7P/c1-3-22-24(19,23-4-2)16(10-15(17)18)8-7-12-5-6-13-14(9-12)21-11-20-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,18)