ethyl 3-isocyano-5-methoxy-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-isocyano-5-methoxy-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-5-methoxy-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-5-methoxy-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1OC)C(=C(C=N2)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1OC)C(=C(C=N2)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4/c1-4-31-24(29)19-15-28-22(23(19)30-3)21(20(25-2)14-26-28)27-16-10-12-18(13-11-16)32-17-8-6-5-7-9-17/h5-15,27H,4H2,1,3H3