(3S)-2,2-dimethyl-3-(4-nitrophenyl)-3-oxidanyl-propanal

Systemtic Name: (3S)-2,2-dimethyl-3-(4-nitrophenyl)-3-oxidanyl-propanal Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanal CAS Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanal IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propanal Traditional Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-nitrophenyl)propionaldehyde Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-11(2,7-13)10(14)8-3-5-9(6-4-8)12(15)16/h3-7,10,14H,1-2H3/t10-/m0/s1