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

Systemtic Name: 1-(2-nitro-4-oxidanyl-phenyl)-3-octadecyl-urea Openeye Name: 1-(4-hydroxy-2-nitro-phenyl)-3-octadecyl-urea CAS Name: 1-(4-hydroxy-2-nitrophenyl)-3-octadecylurea IUPAC Name: 1-(4-hydroxy-2-nitrophenyl)-3-octadecylurea Traditional Name: 1-(4-hydroxy-2-nitro-phenyl)-3-stearyl-urea Formula: C25H43N3O4 MolecularWeight: 449.62662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-25(30)27-23-19-18-22(29)21-24(23)28(31)32/h18-19,21,29H,2-17,20H2,1H3,(H2,26,27,30)