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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCC(=O)O

InChI

InChI=1S/C13H13NO5/c15-12(14-6-5-13(16)17)4-2-9-1-3-10-11(7-9)19-8-18-10/h1-4,7H,5-6,8H2,(H,14,15)(H,16,17)/b4-2+