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

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S/c1-7-2-3-8(6-9(7)12(15)16)19(17,18)11-5-4-10(13)14/h2-3,6,11H,4-5H2,1H3,(H,13,14)