(2S)-2-methyl-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]butanal

Systemtic Name: (2S)-2-methyl-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]butanal Openeye Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-2-methyl-butanal CAS Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-2-methylbutanal IUPAC Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-2-methylbutanal Traditional Name: (2S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-2-methyl-butyraldehyde Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-3-12(2,8-14)11(15)9-4-6-10(7-5-9)13(16)17/h4-8,11,15H,3H2,1-2H3/t11-,12+/m0/s1