3-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]carbonylamino]benzoate

Systemtic Name: 3-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]carbonylamino]benzoate Openeye Name: 3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methyl]amino]benzoate IUPAC Name: 3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoate Traditional Name: 3-[[2-(1,2,4-triazol-4-yl)isonicotinoyl]amino]benzoate Formula: C15H10N5O3- MolecularWeight: 308.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)N3C=NN=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)N3C=NN=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N5O3/c21-14(19-12-3-1-2-11(6-12)15(22)23)10-4-5-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21)(H,22,23)/p-1