N-(3-chloranyl-4-methylsulfonyl-phenyl)-2-nitro-2-oxidanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-2-nitro-2-oxidanyl-propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-2-hydroxy-2-nitro-propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-2-hydroxy-2-nitropropanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-2-hydroxy-2-nitropropanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-2-hydroxy-2-nitro-propionamide Formula: C10H11ClN2O6S MolecularWeight: 322.72214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)C)Cl)([N+](=O)[O-])O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)C)Cl)([N+](=O)[O-])O

InChI

InChI=1S/C10H11ClN2O6S/c1-10(15,13(16)17)9(14)12-6-3-4-8(7(11)5-6)20(2,18)19/h3-5,15H,1-2H3,(H,12,14)