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

Systemtic Name: 4-[2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[2-(3-ethynylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[2-(3-ethynylphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid Traditional Name: 4-[2-(3-ethynylphenyl)-1,3-diketo-isoindoline-5-carbonyl]benzoic acid Formula: C24H13NO5 MolecularWeight: 395.36372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H13NO5/c1-2-14-4-3-5-18(12-14)25-22(27)19-11-10-17(13-20(19)23(25)28)21(26)15-6-8-16(9-7-15)24(29)30/h1,3-13H,(H,29,30)