1-(4-nitrophenyl)-3-[(4-octoxyphenyl)methyl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[(4-octoxyphenyl)methyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[(4-octoxyphenyl)methyl]urea CAS Name: 1-(4-nitrophenyl)-3-[(4-octoxyphenyl)methyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[(4-octoxyphenyl)methyl]urea Traditional Name: 1-(4-nitrophenyl)-3-(4-octoxybenzyl)urea Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-2-3-4-5-6-7-16-29-21-14-8-18(9-15-21)17-23-22(26)24-19-10-12-20(13-11-19)25(27)28/h8-15H,2-7,16-17H2,1H3,(H2,23,24,26)