4-[2-(2-carboxyethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoic acid

Systemtic Name: 4-[2-(2-carboxyethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[2-(2-carboxyethyl)-1,3-dioxo-isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[2-(2-carboxyethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid Traditional Name: 4-[2-(2-carboxyethyl)-1,3-diketo-isoindoline-5-carbonyl]benzoic acid Formula: C19H13NO7 MolecularWeight: 367.30902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H13NO7/c21-15(22)7-8-20-17(24)13-6-5-12(9-14(13)18(20)25)16(23)10-1-3-11(4-2-10)19(26)27/h1-6,9H,7-8H2,(H,21,22)(H,26,27)