3-[2,5-bis(oxidanylidene)-3-propan-2-yl-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2,5-bis(oxidanylidene)-3-propan-2-yl-pyrrol-1-yl]propanoic acid Openeye Name: 3-(3-isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid CAS Name: 3-(2,5-dioxo-3-propan-2-yl-1-pyrrolyl)propanoic acid IUPAC Name: 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)propanoic acid Traditional Name: 3-(3-isopropyl-2,5-diketo-3-pyrrolin-1-yl)propionic acid Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)