2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]terephthalic acid Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H18N2O8/c24-18-8-12(10-23(18)13-2-4-16-17(9-13)31-6-5-30-16)19(25)22-15-7-11(20(26)27)1-3-14(15)21(28)29/h1-4,7,9,12H,5-6,8,10H2,(H,22,25)(H,26,27)(H,28,29)