2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CO)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(CO)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O7S/c1-6-2-3-7(4-9(6)12(16)17)20(18,19)11-8(5-13)10(14)15/h2-4,8,11,13H,5H2,1H3,(H,14,15)