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

Systemtic Name: 1-[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(2,4-dichlorobenzyl)oxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C18H13BrCl2N2O3 MolecularWeight: 456.11742

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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

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H13BrCl2N2O3/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)