3-[3-(3-bromophenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromophenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-bromophenyl)-4-formyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-bromophenyl)-4-formyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-bromophenyl)-4-formylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-bromophenyl)-4-formyl-pyrazol-1-yl]propionic acid Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=C2C=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=C2C=O)CCC(=O)O

InChI

InChI=1S/C13H11BrN2O3/c14-11-3-1-2-9(6-11)13-10(8-17)7-16(15-13)5-4-12(18)19/h1-3,6-8H,4-5H2,(H,18,19)