1-[3-bromanyl-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-bromanyl-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromo-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-[3-bromo-4-(2-methylpropoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-bromo-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromo-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)Br

InChI

InChI=1S/C14H15BrN2O3/c1-9(2)8-20-13-4-3-11(5-12(13)15)17-7-10(6-16-17)14(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)