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

Systemtic Name: 4-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(2-chloro-4-iodo-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(2-chloro-4-iodoanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(2-chloro-4-iodoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(2-chloro-4-iodo-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C16H10ClIN4O2 MolecularWeight: 452.63367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=C(C=C(C=C3)I)Cl

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=C(C=C(C=C3)I)Cl

InChI

InChI=1S/C16H10ClIN4O2/c1-8-11(16(23)24)7-22-15(8)14(9(5-19)6-20-22)21-13-3-2-10(18)4-12(13)17/h2-4,6-7,21H,1H3,(H,23,24)