3-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]thio]propanoic acid IUPAC Name: 3-[4-(morpholine-4-carbonyl)-2-nitrophenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(morpholine-4-carbonyl)-2-nitro-phenyl]thio]propionic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S/c17-13(18)3-8-23-12-2-1-10(9-11(12)16(20)21)14(19)15-4-6-22-7-5-15/h1-2,9H,3-8H2,(H,17,18)