1-(2-tert-butylphenyl)-3-(4-nitro-2-oxidanyl-phenyl)urea

Systemtic Name: 1-(2-tert-butylphenyl)-3-(4-nitro-2-oxidanyl-phenyl)urea Openeye Name: 1-(2-tert-butylphenyl)-3-(2-hydroxy-4-nitro-phenyl)urea CAS Name: 1-(2-tert-butylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea IUPAC Name: 1-(2-tert-butylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea Traditional Name: 1-(2-tert-butylphenyl)-3-(2-hydroxy-4-nitro-phenyl)urea Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O4/c1-17(2,3)12-6-4-5-7-13(12)18-16(22)19-14-9-8-11(20(23)24)10-15(14)21/h4-10,21H,1-3H3,(H2,18,19,22)