6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: 6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-[(2-chloro-4-fluoro-phenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate IUPAC Name: 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C15H10ClFN3O3- MolecularWeight: 334.709603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)[O-])CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)[O-])CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C15H11ClFN3O3/c1-7-10(4-8-2-3-9(17)5-12(8)16)14(21)20-13(19-7)11(6-18-20)15(22)23/h2-3,5-6,18H,4H2,1H3,(H,22,23)/p-1