2-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfonylethanoic acid Openeye Name: 2-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfonylacetic acid CAS Name: 2-[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]sulfonylacetic acid IUPAC Name: 2-[4-(morpholine-4-carbonyl)-2-nitrophenyl]sulfonylacetic acid Traditional Name: 2-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfonylacetic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O8S/c16-12(17)8-24(21,22)11-2-1-9(7-10(11)15(19)20)13(18)14-3-5-23-6-4-14/h1-2,7H,3-6,8H2,(H,16,17)