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

Systemtic Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Openeye Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propionate Formula: C13H12NO5- MolecularWeight: 262.23808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H13NO5/c1-8(13(16)17)14-12(15)5-3-9-2-4-10-11(6-9)19-7-18-10/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)/p-1/b5-3+/t8-/m0/s1