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

Systemtic Name: 4-[2-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]oxybenzoate Openeye Name: 4-[2-(3-ethynylphenyl)-1,3-dioxo-isoindolin-5-yl]oxybenzoate CAS Name: 4-[[2-(3-ethynylphenyl)-1,3-dioxo-5-isoindolyl]oxy]benzoate IUPAC Name: 4-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxybenzoate Traditional Name: 4-[2-(3-ethynylphenyl)-1,3-diketo-isoindolin-5-yl]oxybenzoate Formula: C23H12NO5- MolecularWeight: 382.34508

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H13NO5/c1-2-14-4-3-5-16(12-14)24-21(25)19-11-10-18(13-20(19)22(24)26)29-17-8-6-15(7-9-17)23(27)28/h1,3-13H,(H,27,28)/p-1