methyl 4-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]-4-oxidanyl-but-2-ynoate

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]-4-oxidanyl-but-2-ynoate Openeye Name: methyl 4-(1,3-dioxo-2-phenyl-isoindolin-4-yl)-4-hydroxy-but-2-ynoate CAS Name: 4-(1,3-dioxo-2-phenyl-4-isoindolyl)-4-hydroxy-2-butynoic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxo-2-phenylisoindol-4-yl)-4-hydroxybut-2-ynoate Traditional Name: 4-(1,3-diketo-2-phenyl-isoindolin-4-yl)-4-hydroxy-but-2-ynoic acid methyl ester Formula: C19H13NO5 MolecularWeight: 335.31022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(C1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C#CC(C1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H13NO5/c1-25-16(22)11-10-15(21)13-8-5-9-14-17(13)19(24)20(18(14)23)12-6-3-2-4-7-12/h2-9,15,21H,1H3