2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-methyl-amino]acetic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CC(=O)O)C(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H13NO5/c1-14(7-13(16)17)12(15)5-3-9-2-4-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,16,17)/b5-3+