3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propanoate

Systemtic Name: 3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]propionate Formula: C12H10BrN2O2- MolecularWeight: 294.124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)CCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)CCC(=O)[O-])Br

InChI

InChI=1S/C12H11BrN2O2/c13-10-4-1-8(2-5-10)12-9(7-14-15-12)3-6-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17)/p-1