3-cyano-5-methoxy-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-5-methoxy-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methoxy-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4/c1-29-21-18(22(27)28)13-26-20(21)19(14(11-23)12-24-26)25-15-7-9-17(10-8-15)30-16-5-3-2-4-6-16/h2-10,12-13,25H,1H3,(H,27,28)