3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoic acid; sulfuric acid

Systemtic Name: 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoic acid; sulfuric acid Openeye Name: 3-(1-methyl-4-oxo-5-pyrazol-1-yl-3-pyridyl)benzoic acid; sulfuric acid CAS Name: 3-[1-methyl-4-oxo-5-(1-pyrazolyl)-3-pyridinyl]benzoic acid; sulfuric acid IUPAC Name: 3-(1-methyl-4-oxo-5-pyrazol-1-ylpyridin-3-yl)benzoic acid; sulfuric acid Traditional Name: 3-(4-keto-1-methyl-5-pyrazol-1-yl-3-pyridyl)benzoic acid; sulfuric acid Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C(=C1)N2C=CC=N2)C3=CC(=CC=C3)C(=O)O.OS(=O)(=O)O

Isomeric SMILES

CN1C=C(C(=O)C(=C1)N2C=CC=N2)C3=CC(=CC=C3)C(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C16H13N3O3.H2O4S/c1-18-9-13(11-4-2-5-12(8-11)16(21)22)15(20)14(10-18)19-7-3-6-17-19;1-5(2,3)4/h2-10H,1H3,(H,21,22);(H2,1,2,3,4)