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

Systemtic Name: 2-[(4-chloranyl-3-cyano-6-ethoxycarbonyl-pyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioic acid Openeye Name: 2-[(4-chloro-3-cyano-6-ethoxycarbonyl-pyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioic acid CAS Name: 2-[(4-chloro-3-cyano-6-ethoxycarbonyl-5-pyrrolo[1,2-b]pyridazinyl)methyl]propanedioic acid IUPAC Name: 2-[(4-chloro-3-cyano-6-ethoxycarbonylpyrrolo[1,2-b]pyridazin-5-yl)methyl]propanedioic acid Traditional Name: 2-[(6-carbethoxy-4-chloro-3-cyano-pyrrolo[1,2-b]pyridazin-5-yl)methyl]malonic acid Formula: C15H12ClN3O6 MolecularWeight: 365.72528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O6/c1-2-25-15(24)10-6-19-12(11(16)7(4-17)5-18-19)8(10)3-9(13(20)21)14(22)23/h5-6,9H,2-3H2,1H3,(H,20,21)(H,22,23)