1-(4-nitrophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea Openeye Name: 1-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]-3-(4-nitrophenyl)urea Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CO)O

InChI

InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-4-2-1-3-5-24)14-18-6-8-19(9-7-18)27-25(32)28-20-10-12-22(13-11-20)29(33)34/h1-13,21,23,26,30-31H,14-17H2,(H2,27,28,32)