(2-chloranyl-5-methyl-phenyl) 2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoate Openeye Name: (2-chloro-5-methyl-phenyl) 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate CAS Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate Traditional Name: 2-(3-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (2-chloro-5-methyl-phenyl) ester Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)CC2=C(N=C3C(=CNN3C2=O)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)CC2=C(N=C3C(=CNN3C2=O)C#N)C

InChI

InChI=1S/C17H13ClN4O3/c1-9-3-4-13(18)14(5-9)25-15(23)6-12-10(2)21-16-11(7-19)8-20-22(16)17(12)24/h3-5,8,20H,6H2,1-2H3