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

Systemtic Name: 4-[[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: 4-[[2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoate CAS Name: 4-[[[2-(2-furanylmethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate Traditional Name: 4-[[2-(2-furfuryl)-1,3-diketo-isoindoline-5-carbonyl]amino]benzoate Formula: C21H13N2O6- MolecularWeight: 389.33772

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)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

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