4-[(E)-[2-(1-benzofuran-4-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(E)-[2-(1-benzofuran-4-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(E)-[2-(benzofuran-4-yl)-5-oxo-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid CAS Name: 4-[(E)-[2-(4-benzofuranyl)-5-oxo-4-oxazolylidene]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(E)-[2-(1-benzofuran-4-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[(E)-[2-(benzofuran-4-yl)-5-keto-2-oxazolin-4-ylidene]methyl]piperazine-1-carboxylic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C2C(=O)OC(=N2)C3=C4C=COC4=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1/C=C/2\C(=O)OC(=N2)C3=C4C=COC4=CC=C3)C(=O)O

InChI

InChI=1S/C17H15N3O5/c21-16-13(10-19-5-7-20(8-6-19)17(22)23)18-15(25-16)12-2-1-3-14-11(12)4-9-24-14/h1-4,9-10H,5-8H2,(H,22,23)/b13-10+