(2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]heptanal

Systemtic Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]heptanal Openeye Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]heptanal CAS Name: (2R)-2-[(1S)-2-nitro-1-phenylethyl]heptanal IUPAC Name: (2R)-2-[(1S)-2-nitro-1-phenylethyl]heptanal Traditional Name: (2R)-2-[(1S)-2-nitro-1-phenyl-ethyl]enanthaldehyde Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-2-3-5-10-14(12-17)15(11-16(18)19)13-8-6-4-7-9-13/h4,6-9,12,14-15H,2-3,5,10-11H2,1H3/t14-,15+/m0/s1