2-[[4-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[4-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]methyl]propanedioic acid Openeye Name: 2-[(4-methyl-2,5-dioxo-pyrrol-3-yl)methyl]propanedioic acid CAS Name: 2-[(4-methyl-2,5-dioxo-3-pyrrolyl)methyl]propanedioic acid IUPAC Name: 2-[(4-methyl-2,5-dioxopyrrol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(2,5-diketo-4-methyl-3-pyrrolin-3-yl)methyl]malonic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC1=O)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC1=O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C9H9NO6/c1-3-4(7(12)10-6(3)11)2-5(8(13)14)9(15)16/h5H,2H2,1H3,(H,13,14)(H,15,16)(H,10,11,12)