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

Systemtic Name: 3-(3-bromophenyl)-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-(3-bromophenyl)-5-(2-ethoxy-2-oxo-ethyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(3-bromophenyl)-5-(2-ethoxy-2-oxoethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-(3-bromophenyl)-5-(2-ethoxy-2-oxoethyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-(3-bromophenyl)-5-(2-ethoxy-2-keto-ethyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C16H13BrN3O3- MolecularWeight: 375.19672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=C(C=NN2C(=C1)[O-])C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)CC1=NC2=C(C=NN2C(=C1)[O-])C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3O3/c1-2-23-15(22)8-12-7-14(21)20-16(19-12)13(9-18-20)10-4-3-5-11(17)6-10/h3-7,9,21H,2,8H2,1H3/p-1