1-[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-[3-(bromomethyl)-5-ethoxycarbonyl-phenyl]-3-methyl-pyrazole-4-carboxylic acid CAS Name: 1-[3-(bromomethyl)-5-ethoxycarbonylphenyl]-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(bromomethyl)-5-ethoxycarbonylphenyl]-3-methylpyrazole-4-carboxylic acid Traditional Name: 1-[3-(bromomethyl)-5-carbethoxy-phenyl]-3-methyl-pyrazole-4-carboxylic acid Formula: C15H15BrN2O4 MolecularWeight: 367.1946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C)C(=O)O)CBr

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C)C(=O)O)CBr

InChI

InChI=1S/C15H15BrN2O4/c1-3-22-15(21)11-4-10(7-16)5-12(6-11)18-8-13(14(19)20)9(2)17-18/h4-6,8H,3,7H2,1-2H3,(H,19,20)