1,3-bis(oxidanylidene)-2-prop-2-ynyl-isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-prop-2-ynyl-isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-prop-2-ynyl-isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-prop-2-ynyl-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-prop-2-ynylisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-propargyl-isoindoline-5-carboxylic acid Formula: C12H7NO4 MolecularWeight: 229.18828

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

C#CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H7NO4/c1-2-5-13-10(14)8-4-3-7(12(16)17)6-9(8)11(13)15/h1,3-4,6H,5H2,(H,16,17)