N'-(4-bromophenyl)-1-dimorpholin-4-ylphosphoryl-N-[(4-nitrophenyl)amino]methanimidamide

Systemtic Name: N'-(4-bromophenyl)-1-dimorpholin-4-ylphosphoryl-N-[(4-nitrophenyl)amino]methanimidamide Openeye Name: N'-(4-bromophenyl)-1-dimorpholinophosphoryl-N-(4-nitroanilino)formamidine CAS Name: 1-[bis(4-morpholinyl)phosphoryl]-N'-(4-bromophenyl)-N-(4-nitroanilino)methanimidamide IUPAC Name: N'-(4-bromophenyl)-1-dimorpholin-4-ylphosphoryl-N-(4-nitroanilino)methanimidamide Traditional Name: N'-(4-bromophenyl)-1-dimorpholinophosphoryl-N-(4-nitroanilino)formamidine Formula: C21H26BrN6O5P MolecularWeight: 553.346101

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)(C(=NC2=CC=C(C=C2)Br)NNC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1P(=O)(C(=NC2=CC=C(C=C2)Br)NNC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H26BrN6O5P/c22-17-1-3-18(4-2-17)23-21(25-24-19-5-7-20(8-6-19)28(29)30)34(31,26-9-13-32-14-10-26)27-11-15-33-16-12-27/h1-8,24H,9-16H2,(H,23,25)