3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(4-methylsulfonyl-2-nitro-anilino)propanoic acid CAS Name: 3-(4-methylsulfonyl-2-nitroanilino)propanoic acid IUPAC Name: 3-(4-methylsulfonyl-2-nitroanilino)propanoic acid Traditional Name: 3-(4-mesyl-2-nitro-anilino)propionic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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