3-[6-(carboxycarbonylamino)-2-pyridin-3-ylcarbonyl-1-benzofuran-3-yl]propanoic acid

Systemtic Name: 3-[6-(carboxycarbonylamino)-2-pyridin-3-ylcarbonyl-1-benzofuran-3-yl]propanoic acid Openeye Name: 3-[6-(oxaloamino)-2-(pyridine-3-carbonyl)benzofuran-3-yl]propanoic acid CAS Name: 3-[6-(oxaloamino)-2-[oxo(3-pyridinyl)methyl]-3-benzofuranyl]propanoic acid IUPAC Name: 3-[6-(oxaloamino)-2-(pyridine-3-carbonyl)-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-[2-nicotinoyl-6-(oxaloamino)benzofuran-3-yl]propionic acid Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC(=O)O

InChI

InChI=1S/C19H14N2O7/c22-15(23)6-5-13-12-4-3-11(21-18(25)19(26)27)8-14(12)28-17(13)16(24)10-2-1-7-20-9-10/h1-4,7-9H,5-6H2,(H,21,25)(H,22,23)(H,26,27)