diethyl 2-[(4-chloranyl-3-cyano-6-ethoxycarbonyl-pyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioate

Systemtic Name: diethyl 2-[(4-chloranyl-3-cyano-6-ethoxycarbonyl-pyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioate Openeye Name: diethyl 2-[(4-chloro-3-cyano-6-ethoxycarbonyl-pyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioate CAS Name: 2-[(4-chloro-3-cyano-6-ethoxycarbonyl-5-pyrrolo[1,2-b]pyridazinyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-chloro-3-cyano-6-ethoxycarbonylpyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioate Traditional Name: 2-[(6-carbethoxy-4-chloro-3-cyano-pyrrolo[1,2-b]pyridazin-5-yl)methyl]malonic acid diethyl ester Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1CC(C(=O)OCC)C(=O)OCC)C(=C(C=N2)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1CC(C(=O)OCC)C(=O)OCC)C(=C(C=N2)C#N)Cl

InChI

InChI=1S/C19H20ClN3O6/c1-4-27-17(24)13(18(25)28-5-2)7-12-14(19(26)29-6-3)10-23-16(12)15(20)11(8-21)9-22-23/h9-10,13H,4-7H2,1-3H3