4-[(2-chloranylpyridin-4-yl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid

Systemtic Name: 4-[(2-chloranylpyridin-4-yl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid Openeye Name: 4-[(2-chloro-4-pyridyl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid CAS Name: 4-[(2-chloro-4-pyridinyl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid IUPAC Name: 4-[(2-chloropyridin-4-yl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid Traditional Name: 4-[(2-chloro-4-pyridyl)-(1H-1,2,4-triazol-5-yl)amino]benzoic acid Formula: C14H10ClN5O2 MolecularWeight: 315.7145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(C2=CC(=NC=C2)Cl)C3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(C2=CC(=NC=C2)Cl)C3=NC=NN3

InChI

InChI=1S/C14H10ClN5O2/c15-12-7-11(5-6-16-12)20(14-17-8-18-19-14)10-3-1-9(2-4-10)13(21)22/h1-8H,(H,21,22)(H,17,18,19)