3-(5-bromanyl-2,4-diethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-bromanyl-2,4-diethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-bromo-2,4-diethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-bromo-2,4-diethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-bromo-2,4-diethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(5-bromo-2,4-diethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Br)OCC

InChI

InChI=1S/C14H15BrN2O4/c1-3-20-12-7-13(21-4-2)9(15)5-8(12)10-6-11(14(18)19)17-16-10/h5-7H,3-4H2,1-2H3,(H,16,17)(H,18,19)