[2-[(5-imidazol-1-yl-2,4-dinitro-phenyl)amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[(5-imidazol-1-yl-2,4-dinitro-phenyl)amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [hydroxy-[2-(5-imidazol-1-yl-2,4-dinitro-anilino)ethoxy]phosphoryl] phosphono hydrogen phosphate CAS Name: [hydroxy-[2-[5-(1-imidazolyl)-2,4-dinitroanilino]ethoxy]phosphoryl] phosphono hydrogen phosphate IUPAC Name: [hydroxy-[2-(5-imidazol-1-yl-2,4-dinitroanilino)ethoxy]phosphoryl] phosphono hydrogen phosphate Traditional Name: [hydroxy-[2-(5-imidazol-1-yl-2,4-dinitro-anilino)ethoxy]phosphoryl] phosphono hydrogen phosphate Formula: C11H14N5O14P3 MolecularWeight: 533.175243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CN(C=N1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H14N5O14P3/c17-15(18)9-6-11(16(19)20)10(14-3-1-12-7-14)5-8(9)13-2-4-28-32(24,25)30-33(26,27)29-31(21,22)23/h1,3,5-7,13H,2,4H2,(H,24,25)(H,26,27)(H2,21,22,23)