2-cyano-3-[1-methyl-2,5-bis(oxidanylidene)cyclopentyl]propanoic acid

Systemtic Name: 2-cyano-3-[1-methyl-2,5-bis(oxidanylidene)cyclopentyl]propanoic acid Openeye Name: 2-cyano-3-(1-methyl-2,5-dioxo-cyclopentyl)propanoic acid CAS Name: 2-cyano-3-(1-methyl-2,5-dioxocyclopentyl)propanoic acid IUPAC Name: 2-cyano-3-(1-methyl-2,5-dioxocyclopentyl)propanoic acid Traditional Name: 2-cyano-3-(2,5-diketo-1-methyl-cyclopentyl)propionic acid Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCC1=O)CC(C#N)C(=O)O

Isomeric SMILES

CC1(C(=O)CCC1=O)CC(C#N)C(=O)O

InChI

InChI=1S/C10H11NO4/c1-10(4-6(5-11)9(14)15)7(12)2-3-8(10)13/h6H,2-4H2,1H3,(H,14,15)