5-chloranyl-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 5-chloranyl-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 5-chloro-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 5-chloro-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 5-chloro-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 5-chloro-2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=CN1C2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCC1=NN=CN1C2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12ClN3O2/c1-2-3-11-15-14-7-16(11)10-5-4-8(13)6-9(10)12(17)18/h4-7H,2-3H2,1H3,(H,17,18)