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

Systemtic Name: 3-(4-chlorophenyl)-6-(2-hydroxyethyl)-2-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: 3-(4-chlorophenyl)-6-(2-hydroxyethyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 3-(4-chlorophenyl)-6-(2-hydroxyethyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate IUPAC Name: 3-(4-chlorophenyl)-6-(2-hydroxyethyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-keto-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate Formula: C16H13ClN3O4- MolecularWeight: 346.74512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=O)N2N1)CCO)C(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=NC(=C(C(=O)N2N1)CCO)C(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O4/c1-8-12(9-2-4-10(17)5-3-9)14-18-13(16(23)24)11(6-7-21)15(22)20(14)19-8/h2-5,19,21H,6-7H2,1H3,(H,23,24)/p-1