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

Systemtic Name: 3-cyano-4-[[4-(2-methoxyphenoxy)phenyl]amino]-2-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[4-(2-methoxyphenoxy)anilino]-2-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[4-(2-methoxyphenoxy)anilino]-2-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[4-(2-methoxyphenoxy)anilino]-2-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-[4-(2-methoxyphenoxy)anilino]-2-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C=C(C=C2C(=C1C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CC1=NN2C=C(C=C2C(=C1C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C23H18N4O4/c1-14-18(12-24)22(19-11-15(23(28)29)13-27(19)26-14)25-16-7-9-17(10-8-16)31-21-6-4-3-5-20(21)30-2/h3-11,13,25H,1-2H3,(H,28,29)