(2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitro-butanal

Systemtic Name: (2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitro-butanal Openeye Name: (2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitro-butanal CAS Name: (2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitrobutanal IUPAC Name: (2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitrobutanal Traditional Name: (2S,3R)-2-ethyl-3-(4-methoxyphenyl)-4-nitro-butyraldehyde Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-10(9-15)13(8-14(16)17)11-4-6-12(18-2)7-5-11/h4-7,9-10,13H,3,8H2,1-2H3/t10-,13-/m1/s1