1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-3-nitro-phenyl)urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-3-nitrophenyl)urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-3-nitrophenyl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-3-nitro-phenyl)urea Formula: C15H8ClF6N3O3 MolecularWeight: 427.685739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8ClF6N3O3/c16-11-2-1-9(6-12(11)25(27)28)23-13(26)24-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6H,(H2,23,24,26)