2-[[5-(4-nitrophenoxy)carbonyloxy-2-(2-oxidanylidene-2-phenyl-ethanoyl)phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-(4-nitrophenoxy)carbonyloxy-2-(2-oxidanylidene-2-phenyl-ethanoyl)phenoxy]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-(4-nitrophenoxy)carbonyloxy-2-(2-oxo-2-phenyl-acetyl)phenoxy]carbonylamino]pentanedioic acid CAS Name: 2-[[[2-(1,2-dioxo-2-phenylethyl)-5-[(4-nitrophenoxy)-oxomethoxy]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-(4-nitrophenoxy)carbonyloxy-2-(2-oxo-2-phenylacetyl)phenoxy]carbonylamino]pentanedioic acid Traditional Name: 2-[[2-(2-keto-2-phenyl-acetyl)-5-(4-nitrophenoxy)carbonyloxy-phenoxy]carbonylamino]glutaric acid Formula: C27H20N2O13 MolecularWeight: 580.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)C2=C(C=C(C=C2)OC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)C2=C(C=C(C=C2)OC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C27H20N2O13/c30-22(31)13-12-20(25(34)35)28-26(36)42-21-14-18(41-27(37)40-17-8-6-16(7-9-17)29(38)39)10-11-19(21)24(33)23(32)15-4-2-1-3-5-15/h1-11,14,20H,12-13H2,(H,28,36)(H,30,31)(H,34,35)