ethyl 7-(1-chloranyl-2-ethoxy-2-oxidanylidene-ethyl)-3-cyano-6-ethanoyl-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: ethyl 7-(1-chloranyl-2-ethoxy-2-oxidanylidene-ethyl)-3-cyano-6-ethanoyl-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-7-(1-chloro-2-ethoxy-2-oxo-ethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-7-(1-chloro-2-ethoxy-2-oxoethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-(1-chloro-2-ethoxy-2-oxoethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-7-(1-chloro-2-ethoxy-2-keto-ethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C(C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC)Cl

InChI

InChI=1S/C16H17ClN4O5/c1-4-25-14(23)12(17)16(15(24)26-5-2)11(9(3)22)8-19-13-10(6-18)7-20-21(13)16/h7-8,12,20H,4-5H2,1-3H3