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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-5-(2-phenylethynyl)isoindol-2-yl]benzoic acid Openeye Name: 4-[1,3-dioxo-5-(2-phenylethynyl)isoindolin-2-yl]benzoic acid CAS Name: 4-[1,3-dioxo-5-(2-phenylethynyl)-2-isoindolyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-5-(2-phenylethynyl)isoindol-2-yl]benzoic acid Traditional Name: 4-[1,3-diketo-5-(2-phenylethynyl)isoindolin-2-yl]benzoic acid Formula: C23H13NO4 MolecularWeight: 367.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H13NO4/c25-21-19-13-8-16(7-6-15-4-2-1-3-5-15)14-20(19)22(26)24(21)18-11-9-17(10-12-18)23(27)28/h1-5,8-14H,(H,27,28)