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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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