5-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindolin-5-yl]carbamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]amino]-oxomethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindolin-5-yl]carbamoyl]-2-hydroxy-benzoic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C21H18N2O7/c24-17-6-3-11(8-16(17)21(28)29)18(25)22-12-4-5-14-15(9-12)20(27)23(19(14)26)10-13-2-1-7-30-13/h3-6,8-9,13,24H,1-2,7,10H2,(H,22,25)(H,28,29)