methyl 2-[3-(3-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(3-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(3-bromophenyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-(3-bromophenyl)-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-(3-bromophenyl)-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C=CC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)CN1C(=O)C=CC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H11BrN2O3/c1-19-13(18)8-16-12(17)6-5-11(15-16)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3