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

Systemtic Name: 1-icosyl-3-(2-nitro-4-oxidanyl-phenyl)urea Openeye Name: 1-(4-hydroxy-2-nitro-phenyl)-3-icosyl-urea CAS Name: 1-eicosyl-3-(4-hydroxy-2-nitrophenyl)urea IUPAC Name: 1-(4-hydroxy-2-nitrophenyl)-3-icosylurea Traditional Name: 1-arachyl-3-(4-hydroxy-2-nitro-phenyl)urea Formula: C27H47N3O4 MolecularWeight: 477.67978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-27(32)29-25-21-20-24(31)23-26(25)30(33)34/h20-21,23,31H,2-19,22H2,1H3,(H2,28,29,32)