2-acetamido-2-(2,4-dinitrophenyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-2-(2,4-dinitrophenyl)-3-sulfanyl-propanoic acid Openeye Name: 2-acetamido-2-(2,4-dinitrophenyl)-3-sulfanyl-propanoic acid CAS Name: 2-acetamido-2-(2,4-dinitrophenyl)-3-mercaptopropanoic acid IUPAC Name: 2-acetamido-2-(2,4-dinitrophenyl)-3-sulfanylpropanoic acid Traditional Name: 2-acetamido-2-(2,4-dinitrophenyl)-3-mercapto-propionic acid Formula: C11H11N3O7S MolecularWeight: 329.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CS)(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11N3O7S/c1-6(15)12-11(5-22,10(16)17)8-3-2-7(13(18)19)4-9(8)14(20)21/h2-4,22H,5H2,1H3,(H,12,15)(H,16,17)