5-chloranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-1H-pyridazin-6-one Formula: C15H13ClF3N5O3 MolecularWeight: 403.74363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C15H13ClF3N5O3/c16-13-12(8-20-21-14(13)25)23-5-3-22(4-6-23)10-2-1-9(15(17,18)19)7-11(10)24(26)27/h1-2,7-8H,3-6H2,(H,21,25)