2-[[3-(1,3-benzodioxol-5-yl)-2-phosphono-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-phosphono-propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-phosphono-propanoyl]amino]acetic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-phosphonopropyl]amino]acetic acid IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-phosphonopropanoyl]amino]acetic acid Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-phosphono-propanoyl]amino]acetic acid Formula: C12H14NO8P MolecularWeight: 331.215221

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C(=O)NCC(=O)O)P(=O)(O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(C(=O)NCC(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H14NO8P/c14-11(15)5-13-12(16)10(22(17,18)19)4-7-1-2-8-9(3-7)21-6-20-8/h1-3,10H,4-6H2,(H,13,16)(H,14,15)(H2,17,18,19)