2-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoic acid

Systemtic Name: 2-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoic acid Openeye Name: 2-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)hexanoic acid CAS Name: 2-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)hexanoic acid IUPAC Name: 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid Traditional Name: 2-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)hexanoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=O)C(=C(C1=O)C)C

Isomeric SMILES

CCCCC(C(=O)O)N1C(=O)C(=C(C1=O)C)C

InChI

InChI=1S/C12H17NO4/c1-4-5-6-9(12(16)17)13-10(14)7(2)8(3)11(13)15/h9H,4-6H2,1-3H3,(H,16,17)