2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3-hydroxy-propanoic acid CAS Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid IUPAC Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid Traditional Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3-hydroxy-propionic acid Formula: C11H14N2O7S MolecularWeight: 318.30306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC(CO)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC(CO)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-6-3-8(13(17)18)4-10(7(6)2)21(19,20)12-9(5-14)11(15)16/h3-4,9,12,14H,5H2,1-2H3,(H,15,16)