1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-[2-(4-nitrophenyl)ethyl]urea

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-[2-(4-nitrophenyl)ethyl]urea Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-[2-(4-nitrophenyl)ethyl]urea CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[2-(4-nitrophenyl)ethyl]urea IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[2-(4-nitrophenyl)ethyl]urea Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-[2-(4-nitrophenyl)ethyl]urea Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O4/c1-22(2,3)18-13-16(14-19(20(18)27)23(4,5)6)25-21(28)24-12-11-15-7-9-17(10-8-15)26(29)30/h7-10,13-14,27H,11-12H2,1-6H3,(H2,24,25,28)