N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-N-methyl-4-nitro-benzamide

Systemtic Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-N-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N-methyl-4-nitro-benzamide CAS Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N-methyl-4-nitro-benzamide Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)16-7-11-19(12-8-16)28-14-18(24)13-22(4)20(25)15-5-9-17(10-6-15)23(26)27/h5-12,18,24H,13-14H2,1-4H3/t18-/m0/s1