tert-butyl (2S,3S,4R)-2-ethanoyl-3-(4-methoxyphenyl)-4-nitro-pentanoate

Systemtic Name: tert-butyl (2S,3S,4R)-2-ethanoyl-3-(4-methoxyphenyl)-4-nitro-pentanoate Openeye Name: tert-butyl (2S,3S,4R)-2-acetyl-3-(4-methoxyphenyl)-4-nitro-pentanoate CAS Name: (2S,3S,4R)-2-acetyl-3-(4-methoxyphenyl)-4-nitropentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-2-acetyl-3-(4-methoxyphenyl)-4-nitropentanoate Traditional Name: (2S,3S,4R)-2-acetyl-3-(4-methoxyphenyl)-4-nitro-valeric acid tert-butyl ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6/c1-11(19(22)23)15(13-7-9-14(24-6)10-8-13)16(12(2)20)17(21)25-18(3,4)5/h7-11,15-16H,1-6H3/t11-,15-,16-/m1/s1