1-(4-tert-butylphenyl)-3-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)14-4-6-15(7-5-14)22-19(25)21-12-17(24)13-28-18-10-8-16(9-11-18)23(26)27/h4-11,17,24H,12-13H2,1-3H3,(H2,21,22,25)/t17-/m1/s1