(2S,3R)-2-cyclohexyl-4-nitro-3-phenyl-butanal

Systemtic Name: (2S,3R)-2-cyclohexyl-4-nitro-3-phenyl-butanal Openeye Name: (2S,3R)-2-cyclohexyl-4-nitro-3-phenyl-butanal CAS Name: (2S,3R)-2-cyclohexyl-4-nitro-3-phenylbutanal IUPAC Name: (2S,3R)-2-cyclohexyl-4-nitro-3-phenylbutanal Traditional Name: (2S,3R)-2-cyclohexyl-4-nitro-3-phenyl-butyraldehyde Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C=O)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)[C@H](C=O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c18-12-16(14-9-5-2-6-10-14)15(11-17(19)20)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-16H,2,5-6,9-11H2/t15-,16-/m0/s1