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

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-oxido-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-5-keto-4-oxido-3-pyrrolin-1-yl]propionate Formula: C16H13NO7-2 MolecularWeight: 331.27692

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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-2/t14-/m0/s1