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

Systemtic Name: 3-[[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(2-furanylmethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(2-furfuryl)-1,3-diketo-isoindoline-5-carbonyl]amino]benzoic acid Formula: C21H14N2O6 MolecularWeight: 390.34566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C(=O)O

InChI

InChI=1S/C21H14N2O6/c24-18(22-14-4-1-3-13(9-14)21(27)28)12-6-7-16-17(10-12)20(26)23(19(16)25)11-15-5-2-8-29-15/h1-10H,11H2,(H,22,24)(H,27,28)