1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline

Systemtic Name: 1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline Openeye Name: 1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline CAS Name: 1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline IUPAC Name: 1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline Traditional Name: 1-diethoxyphosphoryl-2-(3-nitrophenyl)-3-phenyl-1H-isoquinoline Formula: C25H25N2O5P MolecularWeight: 464.450161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(C1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H25N2O5P/c1-3-31-33(30,32-4-2)25-23-16-9-8-13-20(23)17-24(19-11-6-5-7-12-19)26(25)21-14-10-15-22(18-21)27(28)29/h5-18,25H,3-4H2,1-2H3