7-bromanyl-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 7-bromanyl-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 7-bromo-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 7-bromo-3-cyano-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 7-bromo-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 7-bromo-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C21H13BrN4O3 MolecularWeight: 449.25692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=CC(=C4Br)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=CC(=C4Br)C(=O)O)C#N

InChI

InChI=1S/C21H13BrN4O3/c22-20-17(21(27)28)10-18-19(13(11-23)12-24-26(18)20)25-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-10,12,25H,(H,27,28)