5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-4-ethanoyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-4-ethanoyl-pyrazole-3-carbonitrile Openeye Name: 4-acetyl-5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile CAS Name: 4-acetyl-5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 4-acetyl-5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile Traditional Name: 4-acetyl-5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile Formula: C13H7Cl2F3N4O2 MolecularWeight: 379.12149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)OC(F)(F)F)Cl)N

Isomeric SMILES

CC(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)OC(F)(F)F)Cl)N

InChI

InChI=1S/C13H7Cl2F3N4O2/c1-5(23)10-9(4-19)21-22(12(10)20)11-7(14)2-6(3-8(11)15)24-13(16,17)18/h2-3H,20H2,1H3