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

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-bromo-2-fluoro-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(4-bromo-2-fluoroanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(4-bromo-2-fluoroanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-bromo-2-fluoro-anilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C16H10BrFN4O2 MolecularWeight: 389.178603

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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)Br)F

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H10BrFN4O2/c1-8-11(16(23)24)7-22-15(8)14(9(5-19)6-20-22)21-13-3-2-10(17)4-12(13)18/h2-4,6-7,21H,1H3,(H,23,24)