ethoxy-[5-[(4-iodophenyl)carbonyloxymethyl]-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-3-ylidene]methanolate

Systemtic Name: ethoxy-[5-[(4-iodophenyl)carbonyloxymethyl]-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-3-ylidene]methanolate Openeye Name: ethoxy-[5-[(4-iodobenzoyl)oxymethyl]-7-oxo-pyrazolo[1,5-a]pyrimidin-3-ylidene]methanolate CAS Name: ethoxy-[5-[[(4-iodophenyl)-oxomethoxy]methyl]-7-oxo-3-pyrazolo[1,5-a]pyrimidinylidene]methanolate IUPAC Name: ethoxy-[5-[(4-iodobenzoyl)oxymethyl]-7-oxopyrazolo[1,5-a]pyrimidin-3-ylidene]methanolate Traditional Name: ethoxy-[5-[(4-iodobenzoyl)oxymethyl]-7-keto-pyrazolo[1,5-a]pyrimidin-3-ylidene]methanolate Formula: C17H13IN3O5- MolecularWeight: 466.20669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C=NN2C1=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)I)[O-]

Isomeric SMILES

CCOC(=C1C=NN2C1=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)I)[O-]

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/h3-8,24H,2,9H2,1H3/p-1