N-[(2S)-3-(2-ethoxyphenoxy)-2-oxidanyl-propyl]-N,4-dimethyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-3-(2-ethoxyphenoxy)-2-oxidanyl-propyl]-N,4-dimethyl-3-nitro-benzamide Openeye Name: N-[(2S)-3-(2-ethoxyphenoxy)-2-hydroxy-propyl]-N,4-dimethyl-3-nitro-benzamide CAS Name: N-[(2S)-3-(2-ethoxyphenoxy)-2-hydroxypropyl]-N,4-dimethyl-3-nitrobenzamide IUPAC Name: N-[(2S)-3-(2-ethoxyphenoxy)-2-hydroxypropyl]-N,4-dimethyl-3-nitrobenzamide Traditional Name: N-[(2S)-3-(2-ethoxyphenoxy)-2-hydroxy-propyl]-N,4-dimethyl-3-nitro-benzamide Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(CN(C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=CC=C1OC[C@H](CN(C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O

InChI

InChI=1S/C20H24N2O6/c1-4-27-18-7-5-6-8-19(18)28-13-16(23)12-21(3)20(24)15-10-9-14(2)17(11-15)22(25)26/h5-11,16,23H,4,12-13H2,1-3H3/t16-/m0/s1