3-(3-bromophenyl)-6-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-(3-bromophenyl)-6-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-(3-bromophenyl)-6-(2-ethoxy-2-oxo-ethyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(3-bromophenyl)-6-(2-ethoxy-2-oxoethyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-(3-bromophenyl)-6-(2-ethoxy-2-oxoethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-(3-bromophenyl)-6-(2-ethoxy-2-keto-ethyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H15BrN3O3- MolecularWeight: 389.2233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1C)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1C)[O-]

InChI

InChI=1S/C17H16BrN3O3/c1-3-24-15(22)8-13-10(2)20-16-14(9-19-21(16)17(13)23)11-5-4-6-12(18)7-11/h4-7,9,23H,3,8H2,1-2H3/p-1