2-[4-(4-azanylpyrazol-1-yl)-3-chloranyl-phenyl]propanoic acid

Systemtic Name: 2-[4-(4-azanylpyrazol-1-yl)-3-chloranyl-phenyl]propanoic acid Openeye Name: 2-[4-(4-aminopyrazol-1-yl)-3-chloro-phenyl]propanoic acid CAS Name: 2-[4-(4-amino-1-pyrazolyl)-3-chlorophenyl]propanoic acid IUPAC Name: 2-[4-(4-aminopyrazol-1-yl)-3-chlorophenyl]propanoic acid Traditional Name: 2-[4-(4-aminopyrazol-1-yl)-3-chloro-phenyl]propionic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2C=C(C=N2)N)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2C=C(C=N2)N)Cl)C(=O)O

InChI

InChI=1S/C12H12ClN3O2/c1-7(12(17)18)8-2-3-11(10(13)4-8)16-6-9(14)5-15-16/h2-7H,14H2,1H3,(H,17,18)