(2S,3R)-2-methyl-3-(nitromethyl)-2-phenyl-heptanal

Systemtic Name: (2S,3R)-2-methyl-3-(nitromethyl)-2-phenyl-heptanal Openeye Name: (2S,3R)-2-methyl-3-(nitromethyl)-2-phenyl-heptanal CAS Name: (2S,3R)-2-methyl-3-(nitromethyl)-2-phenylheptanal IUPAC Name: (2S,3R)-2-methyl-3-(nitromethyl)-2-phenylheptanal Traditional Name: (2S,3R)-2-methyl-3-(nitromethyl)-2-phenyl-enanthaldehyde Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-4-8-14(11-16(18)19)15(2,12-17)13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3/t14-,15+/m0/s1