2-[(4-nitrophenyl)methyl-(trichloromethylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(trichloromethylsulfonyl)amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(trichloromethylsulfonyl)amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-(trichloromethylsulfonyl)amino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(trichloromethylsulfonyl)amino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)-(trichloromethylsulfonyl)amino]propionic acid Formula: C11H11Cl3N2O6S MolecularWeight: 405.63884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11Cl3N2O6S/c1-7(10(17)18)15(23(21,22)11(12,13)14)6-8-2-4-9(5-3-8)16(19)20/h2-5,7H,6H2,1H3,(H,17,18)