ethyl 4-[(4-chloranyl-2-iodanyl-phenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-2-iodanyl-phenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-chloro-2-iodo-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-(4-chloro-2-iodoanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-iodoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-chloro-2-iodo-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C18H14ClIN4O2 MolecularWeight: 480.68683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)I

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)I

InChI

InChI=1S/C18H14ClIN4O2/c1-3-26-18(25)13-9-24-17(10(13)2)16(11(7-21)8-22-24)23-15-5-4-12(19)6-14(15)20/h4-6,8-9,23H,3H2,1-2H3