methyl 4-(5-oxidanylidene-3-pyridin-2-yl-4H-pyrazol-1-yl)benzoate

Systemtic Name: methyl 4-(5-oxidanylidene-3-pyridin-2-yl-4H-pyrazol-1-yl)benzoate Openeye Name: methyl 4-[5-oxo-3-(2-pyridyl)-4H-pyrazol-1-yl]benzoate CAS Name: 4-[5-oxo-3-(2-pyridinyl)-4H-pyrazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-oxo-3-pyridin-2-yl-4H-pyrazol-1-yl)benzoate Traditional Name: 4-[5-keto-3-(2-pyridyl)-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C3=CC=CC=N3

InChI

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