2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]succinic acid Formula: C19H15NO9 MolecularWeight: 401.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=COC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H15NO9/c21-16(20-13(19(25)26)8-17(22)23)9-28-11-3-4-12-14(6-11)29-15(18(12)24)7-10-2-1-5-27-10/h1-7,13H,8-9H2,(H,20,21)(H,22,23)(H,25,26)