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

Systemtic Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-methoxy-N-methyl-3-nitro-benzamide Openeye Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-methoxy-N-methyl-3-nitro-benzamide CAS Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxy-N-methyl-3-nitrobenzamide IUPAC Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxy-N-methyl-3-nitrobenzamide Traditional Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-methoxy-N-methyl-3-nitro-benzamide Formula: C22H28N2O6 MolecularWeight: 416.46752

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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)OC)[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)OC)[N+](=O)[O-])O

InChI

InChI=1S/C22H28N2O6/c1-22(2,3)16-7-9-18(10-8-16)30-14-17(25)13-23(4)21(26)15-6-11-20(29-5)19(12-15)24(27)28/h6-12,17,25H,13-14H2,1-5H3/t17-/m0/s1