[3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-oxidanylidene-propyl]germanium trihydrate

Systemtic Name: [3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-oxidanylidene-propyl]germanium trihydrate Openeye Name: [3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-oxo-propyl]germanium trihydrate CAS Name: [3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-oxopropyl]germanium trihydrate IUPAC Name: [3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-oxopropyl]germanium trihydrate Traditional Name: [3-[[diphenoxyphosphoryl-(3-nitrophenyl)methyl]amino]-3-keto-propyl]germanium trihydrate Formula: C22H26GeN2O9P MolecularWeight: 566.063601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC[Ge])OC3=CC=CC=C3.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC[Ge])OC3=CC=CC=C3.O.O.O

InChI

InChI=1S/C22H20GeN2O6P.3H2O/c23-15-14-21(26)24-22(17-8-7-9-18(16-17)25(27)28)32(29,30-19-10-3-1-4-11-19)31-20-12-5-2-6-13-20;;;/h1-13,16,22H,14-15H2,(H,24,26);3*1H2