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

Systemtic Name: N-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-methoxy-3-nitro-benzamide Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-21(2,3)15-6-8-17(9-7-15)29-13-16(24)12-22-20(25)14-5-10-19(28-4)18(11-14)23(26)27/h5-11,16,24H,12-13H2,1-4H3,(H,22,25)