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

Systemtic Name: 3-cyano-4-[[4-(3-methoxyphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[4-(3-methoxyphenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[4-(3-methoxyphenoxy)anilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[4-(3-methoxyphenoxy)anilino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-[4-(3-methoxyphenoxy)anilino]-5-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=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC(=CC=C4)OC

InChI

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