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

Systemtic Name: 5-(azidomethyl)-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H15N7O3 MolecularWeight: 425.3996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=C(C(=C4)C(=O)O)CN=[N+]=[N-])C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=C(C(=C4)C(=O)O)CN=[N+]=[N-])C#N

InChI

InChI=1S/C22H15N7O3/c23-10-14-11-26-29-13-19(22(30)31)18(12-25-28-24)21(29)20(14)27-15-6-8-17(9-7-15)32-16-4-2-1-3-5-16/h1-9,11,13,27H,12H2,(H,30,31)