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

Systemtic Name: N-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-N,4-dimethyl-3-nitro-benzamide Openeye Name: N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N,4-dimethyl-3-nitro-benzamide CAS Name: N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N,4-dimethyl-3-nitrobenzamide IUPAC Name: N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N,4-dimethyl-3-nitrobenzamide Traditional Name: N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N,4-dimethyl-3-nitro-benzamide Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-15-6-7-16(12-20(15)24(27)28)21(26)23(5)13-18(25)14-29-19-10-8-17(9-11-19)22(2,3)4/h6-12,18,25H,13-14H2,1-5H3/t18-/m1/s1