2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]butanedioic acid

Systemtic Name: 2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]butanedioic acid Openeye Name: 2-(3-methyl-2,5-dioxo-pyrrol-1-yl)butanedioic acid CAS Name: 2-(3-methyl-2,5-dioxo-1-pyrrolyl)butanedioic acid IUPAC Name: 2-(3-methyl-2,5-dioxopyrrol-1-yl)butanedioic acid Traditional Name: 2-citraconimidosuccinic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(C1=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C9H9NO6/c1-4-2-6(11)10(8(4)14)5(9(15)16)3-7(12)13/h2,5H,3H2,1H3,(H,12,13)(H,15,16)