2-pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 2-pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid CAS Name: 2-(1-pyrazolyl)-4-(1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 2-pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=CC(=C2)N3C=NN=C3)C(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=C(C=CC(=C2)N3C=NN=C3)C(=O)O

InChI

InChI=1S/C12H9N5O2/c18-12(19)10-3-2-9(16-7-13-14-8-16)6-11(10)17-5-1-4-15-17/h1-8H,(H,18,19)