1,3-bis(oxidanylidene)-6-(prop-2-enylcarbamoyl)isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-6-(prop-2-enylcarbamoyl)isoindole-5-carboxylic acid Openeye Name: 6-(allylcarbamoyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-6-[oxo-(prop-2-enylamino)methyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-6-(prop-2-enylcarbamoyl)isoindole-5-carboxylic acid Traditional Name: 6-(allylcarbamoyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(C=C2C(=C1)C(=O)NC2=O)C(=O)O

Isomeric SMILES

C=CCNC(=O)C1=C(C=C2C(=C1)C(=O)NC2=O)C(=O)O

InChI

InChI=1S/C13H10N2O5/c1-2-3-14-10(16)8-4-6-7(5-9(8)13(19)20)12(18)15-11(6)17/h2,4-5H,1,3H2,(H,14,16)(H,19,20)(H,15,17,18)