methyl 2-[3-(4-bromophenyl)-2-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-bromophenyl)-2-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[3-(4-bromophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate CAS Name: 2-[3-(4-bromophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate Traditional Name: 2-[3-(4-bromophenyl)-7-keto-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid methyl ester Formula: C16H14BrN3O3 MolecularWeight: 376.20466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=CC(=O)N2N1)CC(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C2=NC(=CC(=O)N2N1)CC(=O)OC)C3=CC=C(C=C3)Br

InChI

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