2-[(5-chloranyl-4-methyl-2-nitro-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 2-[(5-chloranyl-4-methyl-2-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(5-chloro-4-methyl-2-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 2-[(5-chloro-4-methyl-2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(5-chloro-4-methyl-2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(5-chloro-4-methyl-2-nitro-phenyl)sulfonylamino]propionic acid Formula: C10H11ClN2O6S MolecularWeight: 322.72214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)NC(C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)NC(C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11ClN2O6S/c1-5-3-8(13(16)17)9(4-7(5)11)20(18,19)12-6(2)10(14)15/h3-4,6,12H,1-2H3,(H,14,15)