2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]propanedioic acid

Systemtic Name: 2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]propanedioic acid Openeye Name: 2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]propanedioic acid CAS Name: 2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]propanedioic acid IUPAC Name: 2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]propanedioic acid Traditional Name: 2-[[[2-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylamino]methyl]malonic acid Formula: C21H20N2O10S MolecularWeight: 492.4559

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C2=CC=CC=C2S(=O)(=O)NCC(C(=O)O)C(=O)O)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(C1C2=CC=CC=C2S(=O)(=O)NCC(C(=O)O)C(=O)O)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H20N2O10S/c24-18(25)15(19(26)27)11-22-34(32,33)17-4-2-1-3-14(17)16-9-10-21(16,20(28)29)12-5-7-13(8-6-12)23(30)31/h1-8,15-16,22H,9-11H2,(H,24,25)(H,26,27)(H,28,29)