1-cyclohexyl-3-(2-methyl-5-nitro-phenyl)-1-(2-oxidanyl-2-phenyl-ethyl)urea

Systemtic Name: 1-cyclohexyl-3-(2-methyl-5-nitro-phenyl)-1-(2-oxidanyl-2-phenyl-ethyl)urea Openeye Name: 1-cyclohexyl-1-(2-hydroxy-2-phenyl-ethyl)-3-(2-methyl-5-nitro-phenyl)urea CAS Name: 1-cyclohexyl-1-(2-hydroxy-2-phenylethyl)-3-(2-methyl-5-nitrophenyl)urea IUPAC Name: 1-cyclohexyl-1-(2-hydroxy-2-phenylethyl)-3-(2-methyl-5-nitrophenyl)urea Traditional Name: 1-cyclohexyl-1-(2-hydroxy-2-phenyl-ethyl)-3-(2-methyl-5-nitro-phenyl)urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)N(CC(C2=CC=CC=C2)O)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)N(CC(C2=CC=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C22H27N3O4/c1-16-12-13-19(25(28)29)14-20(16)23-22(27)24(18-10-6-3-7-11-18)15-21(26)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,18,21,26H,3,6-7,10-11,15H2,1H3,(H,23,27)