(3S,4R)-3-(2-methoxyphenyl)-4-nitro-hexanal

Systemtic Name: (3S,4R)-3-(2-methoxyphenyl)-4-nitro-hexanal Openeye Name: (3S,4R)-3-(2-methoxyphenyl)-4-nitro-hexanal CAS Name: (3S,4R)-3-(2-methoxyphenyl)-4-nitrohexanal IUPAC Name: (3S,4R)-3-(2-methoxyphenyl)-4-nitrohexanal Traditional Name: (3S,4R)-3-(2-methoxyphenyl)-4-nitro-hexanal Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC=O)C1=CC=CC=C1OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@@H](CC=O)C1=CC=CC=C1OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-3-12(14(16)17)10(8-9-15)11-6-4-5-7-13(11)18-2/h4-7,9-10,12H,3,8H2,1-2H3/t10-,12+/m0/s1