ethyl 2-[3-(3-bromophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(3-bromophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[3-(3-bromophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate CAS Name: 2-[3-(3-bromophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate Traditional Name: 2-[3-(3-bromophenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester Formula: C16H14BrN3O3 MolecularWeight: 376.20466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N2C(=N1)C(=CN2)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/h3-7,9,18H,2,8H2,1H3