1-dodecyl-3-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]urea

Systemtic Name: 1-dodecyl-3-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]urea Openeye Name: 1-dodecyl-3-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]urea CAS Name: 1-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea IUPAC Name: 1-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea Traditional Name: 1-[(1S,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-lauryl-urea Formula: C22H37N3O5 MolecularWeight: 423.54628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)NC(CO)C(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)N[C@@H](CO)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C22H37N3O5/c1-2-3-4-5-6-7-8-9-10-11-16-23-22(28)24-20(17-26)21(27)18-12-14-19(15-13-18)25(29)30/h12-15,20-21,26-27H,2-11,16-17H2,1H3,(H2,23,24,28)/t20-,21-/m0/s1