1-[(E)-4-oxidanylidene-4-pyridin-3-yl-but-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-4-oxidanylidene-4-pyridin-3-yl-but-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-4-oxo-4-(3-pyridyl)but-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-1,4-dioxo-4-(3-pyridinyl)but-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-4-oxo-4-pyridin-3-ylbut-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-4-keto-4-(3-pyridyl)but-2-enoyl]proline Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC(=O)C2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C(=O)C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C14H14N2O4/c17-12(10-3-1-7-15-9-10)5-6-13(18)16-8-2-4-11(16)14(19)20/h1,3,5-7,9,11H,2,4,8H2,(H,19,20)/b6-5+