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

Systemtic Name: ethyl 3-isocyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O3/c1-3-29-23(28)16-13-21-22(20(24-2)14-25-27(21)15-16)26-17-9-11-19(12-10-17)30-18-7-5-4-6-8-18/h4-15,26H,3H2,1H3