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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(COC2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC[C@H](COC2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C21H26N2O5/c1-14-18(6-5-7-19(14)23(26)27)20(25)22-12-16(24)13-28-17-10-8-15(9-11-17)21(2,3)4/h5-11,16,24H,12-13H2,1-4H3,(H,22,25)/t16-/m1/s1