1-hexadecyl-3-(2-nitro-4-oxidanyl-phenyl)urea

Systemtic Name: 1-hexadecyl-3-(2-nitro-4-oxidanyl-phenyl)urea Openeye Name: 1-hexadecyl-3-(4-hydroxy-2-nitro-phenyl)urea CAS Name: 1-hexadecyl-3-(4-hydroxy-2-nitrophenyl)urea IUPAC Name: 1-hexadecyl-3-(4-hydroxy-2-nitrophenyl)urea Traditional Name: 1-cetyl-3-(4-hydroxy-2-nitro-phenyl)urea Formula: C23H39N3O4 MolecularWeight: 421.57346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C23H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-23(28)25-21-17-16-20(27)19-22(21)26(29)30/h16-17,19,27H,2-15,18H2,1H3,(H2,24,25,28)