methyl 2-[4-bromanyl-5-[cyano(quinolin-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-bromanyl-5-[cyano(quinolin-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-bromo-5-[cyano(2-quinolyl)methyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-bromo-5-[cyano(2-quinolinyl)methyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-5-[cyano(quinolin-2-yl)methyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-bromo-5-[cyano(2-quinolyl)methyl]-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H13BrN4O3/c1-26-16(24)10-23-18(25)17(13(19)9-21-23)12(8-20)15-7-6-11-4-2-3-5-14(11)22-15/h2-7,9,12H,10H2,1H3