ethyl 5-[(4-iodophenyl)carbonyloxymethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-[(4-iodophenyl)carbonyloxymethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-[(4-iodobenzoyl)oxymethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-[[(4-iodophenyl)-oxomethoxy]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-iodobenzoyl)oxymethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-[(4-iodobenzoyl)oxymethyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H14IN3O5 MolecularWeight: 467.21463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN2C1=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=CNN2C1=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H14IN3O5/c1-2-25-17(24)13-8-19-21-14(22)7-12(20-15(13)21)9-26-16(23)10-3-5-11(18)6-4-10/h3-8,19H,2,9H2,1H3