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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CN2C=CC(=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CN2C=CC(=C2)/C(=C\C(=O)C(=O)O)/O

InChI

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