3-[2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propionic acid Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CCC(=O)O)O

InChI

InChI=1S/C16H15NO7/c1-8(18)13-14(9-2-3-10-11(6-9)24-7-23-10)17(5-4-12(19)20)16(22)15(13)21/h2-3,6,14,21H,4-5,7H2,1H3,(H,19,20)