sodium 1-[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: sodium 1-[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: sodium 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: sodium 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-3-pyrazolecarboxylate IUPAC Name: sodium 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: sodium 1-[5-bromo-2-(2,4-dichlorobenzyl)oxy-phenyl]-5-methyl-pyrazole-3-carboxylate Formula: C18H12BrCl2N2NaO3 MolecularWeight: 478.09925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H13BrCl2N2O3.Na/c1-10-6-15(18(24)25)22-23(10)16-7-12(19)3-5-17(16)26-9-11-2-4-13(20)8-14(11)21;/h2-8H,9H2,1H3,(H,24,25);/q;+1/p-1