2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 2,4-bis(chloranyl)benzoate

Systemtic Name: 2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 2,4-bis(chloranyl)benzoate Openeye Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl ester IUPAC Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid 2-(3-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl ester Formula: C17H12Cl2N4O3 MolecularWeight: 391.20818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CCOC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CCOC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N4O3/c1-9-12(16(24)23-15(22-9)10(7-20)8-21-23)4-5-26-17(25)13-3-2-11(18)6-14(13)19/h2-3,6,8,21H,4-5H2,1H3