(E)-4-oxidanyl-2-oxidanylidene-4-[2-(pyridin-4-ylmethyl)-1H-pyrrol-3-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[2-(pyridin-4-ylmethyl)-1H-pyrrol-3-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[2-(4-pyridylmethyl)-1H-pyrrol-3-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[2-(pyridin-4-ylmethyl)-1H-pyrrol-3-yl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[2-(pyridin-4-ylmethyl)-1H-pyrrol-3-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[2-(4-pyridylmethyl)-1H-pyrrol-3-yl]but-3-enoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1C(=CC(=O)C(=O)O)O)CC2=CC=NC=C2

Isomeric SMILES

C1=CNC(=C1/C(=C\C(=O)C(=O)O)/O)CC2=CC=NC=C2

InChI

InChI=1S/C14H12N2O4/c17-12(8-13(18)14(19)20)10-3-6-16-11(10)7-9-1-4-15-5-2-9/h1-6,8,16-17H,7H2,(H,19,20)/b12-8+