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

Systemtic Name: 4-[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[2-(2-furanylmethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid Traditional Name: 4-[2-(2-furfuryl)-1,3-diketo-isoindoline-5-carbonyl]benzoic acid Formula: C21H13NO6 MolecularWeight: 375.33102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13NO6/c23-18(12-3-5-13(6-4-12)21(26)27)14-7-8-16-17(10-14)20(25)22(19(16)24)11-15-2-1-9-28-15/h1-10H,11H2,(H,26,27)