(3R,4S)-3-methyl-4-(2-nitrophenyl)-4-oxidanyl-butan-2-one

Systemtic Name: (3R,4S)-3-methyl-4-(2-nitrophenyl)-4-oxidanyl-butan-2-one Openeye Name: (3R,4S)-4-hydroxy-3-methyl-4-(2-nitrophenyl)butan-2-one CAS Name: (3R,4S)-4-hydroxy-3-methyl-4-(2-nitrophenyl)-2-butanone IUPAC Name: (3R,4S)-4-hydroxy-3-methyl-4-(2-nitrophenyl)butan-2-one Traditional Name: (3R,4S)-4-hydroxy-3-methyl-4-(2-nitrophenyl)butan-2-one Formula: C11H13NO4 MolecularWeight: 223.22522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1[N+](=O)[O-])O)C(=O)C

InChI

InChI=1S/C11H13NO4/c1-7(8(2)13)11(14)9-5-3-4-6-10(9)12(15)16/h3-7,11,14H,1-2H3/t7-,11-/m0/s1