ethyl 4-chloranyl-3-cyano-5-(hydroxymethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 4-chloranyl-3-cyano-5-(hydroxymethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-chloro-3-cyano-5-(hydroxymethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-chloro-3-cyano-5-(hydroxymethyl)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-cyano-5-(hydroxymethyl)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-chloro-3-cyano-5-methylol-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C12H10ClN3O3 MolecularWeight: 279.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1CO)C(=C(C=N2)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1CO)C(=C(C=N2)C#N)Cl

InChI

InChI=1S/C12H10ClN3O3/c1-2-19-12(18)8-5-16-11(9(8)6-17)10(13)7(3-14)4-15-16/h4-5,17H,2,6H2,1H3