ethyl 2-[2-(4-iodophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-iodophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate CAS Name: 2-[2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-iodophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate Traditional Name: 2-[2-(4-iodophenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester Formula: C16H14IN3O3 MolecularWeight: 423.20513

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H14IN3O3/c1-2-23-16(22)8-12-7-15(21)20-14(18-12)9-13(19-20)10-3-5-11(17)6-4-10/h3-7,9,19H,2,8H2,1H3