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

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propionate Formula: C16H14NO7- MolecularWeight: 332.28486

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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([C@H]1C2=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)/p-1/t14-/m0/s1