3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]propionic acid Formula: C10H11ClN2O6S MolecularWeight: 322.72214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C10H11ClN2O6S/c1-6-8(11)4-7(5-9(6)13(16)17)20(18,19)12-3-2-10(14)15/h4-5,12H,2-3H2,1H3,(H,14,15)