ethyl 2-(4-iodophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(4-iodophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(4-iodophenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H12IN3O3 MolecularWeight: 409.17855

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(NN2C1=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(NN2C1=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H12IN3O3/c1-2-22-15(21)11-8-17-13-7-12(18-19(13)14(11)20)9-3-5-10(16)6-4-9/h3-8,18H,2H2,1H3