2-[[1-(3-nitrodibenzofuran-2-yl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]pentanedioic acid

Systemtic Name: 2-[[1-(3-nitrodibenzofuran-2-yl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]pentanedioic acid Openeye Name: 2-[[2-hydroxy-1-(3-nitrodibenzofuran-2-yl)-2-oxo-ethyl]amino]pentanedioic acid CAS Name: 2-[[2-hydroxy-1-(3-nitro-2-dibenzofuranyl)-2-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-hydroxy-1-(3-nitrodibenzofuran-2-yl)-2-oxoethyl]amino]pentanedioic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(3-nitrodibenzofuran-2-yl)ethyl]amino]glutaric acid Formula: C19H16N2O9 MolecularWeight: 416.33834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)[N+](=O)[O-])C(C(=O)O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)[N+](=O)[O-])C(C(=O)O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H16N2O9/c22-16(23)6-5-12(18(24)25)20-17(19(26)27)11-7-10-9-3-1-2-4-14(9)30-15(10)8-13(11)21(28)29/h1-4,7-8,12,17,20H,5-6H2,(H,22,23)(H,24,25)(H,26,27)