1-[2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-nitro-phenyl]ethanone

Systemtic Name: 1-[2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-5-nitro-phenyl]ethanone Openeye Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-nitro-phenyl]ethanone CAS Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl]ethanone IUPAC Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl]ethanone Traditional Name: 1-[2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-nitro-phenyl]ethanone Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-10(18)13-7-11(17(20)21)5-6-14(13)22-9-12(19)8-16-15(2,3)4/h5-7,12,16,19H,8-9H2,1-4H3/t12-/m0/s1