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

Systemtic Name: 2-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-(morpholine-4-carbonyl)-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-(morpholine-4-carbonyl)-2-nitro-phenyl]thio]acetic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6S/c16-12(17)8-22-11-2-1-9(7-10(11)15(19)20)13(18)14-3-5-21-6-4-14/h1-2,7H,3-6,8H2,(H,16,17)