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

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-(2-furoylamino)acryloyl]amino]propionic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H16N2O7/c21-16(22)5-6-19-17(23)12(20-18(24)14-2-1-7-25-14)8-11-3-4-13-15(9-11)27-10-26-13/h1-4,7-9H,5-6,10H2,(H,19,23)(H,20,24)(H,21,22)