3-(4-chloranyl-3-nitro-phenyl)-1-cyclohexyl-1-(2-oxidanyl-2-phenyl-ethyl)urea

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-1-cyclohexyl-1-(2-oxidanyl-2-phenyl-ethyl)urea Openeye Name: 3-(4-chloro-3-nitro-phenyl)-1-cyclohexyl-1-(2-hydroxy-2-phenyl-ethyl)urea CAS Name: 3-(4-chloro-3-nitrophenyl)-1-cyclohexyl-1-(2-hydroxy-2-phenylethyl)urea IUPAC Name: 3-(4-chloro-3-nitrophenyl)-1-cyclohexyl-1-(2-hydroxy-2-phenylethyl)urea Traditional Name: 3-(4-chloro-3-nitro-phenyl)-1-cyclohexyl-1-(2-hydroxy-2-phenyl-ethyl)urea Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(C2=CC=CC=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC(C2=CC=CC=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c22-18-12-11-16(13-19(18)25(28)29)23-21(27)24(17-9-5-2-6-10-17)14-20(26)15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17,20,26H,2,5-6,9-10,14H2,(H,23,27)