2-(1-diethoxyphosphoryl-1-phenyl-ethyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1-diethoxyphosphoryl-1-phenyl-ethyl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-diethoxyphosphoryl-1-phenyl-ethyl)-5-nitro-benzonitrile CAS Name: 2-(1-diethoxyphosphoryl-1-phenylethyl)-5-nitrobenzonitrile IUPAC Name: 2-(1-diethoxyphosphoryl-1-phenylethyl)-5-nitrobenzonitrile Traditional Name: 2-(1-diethoxyphosphoryl-1-phenyl-ethyl)-5-nitro-benzonitrile Formula: C19H21N2O5P MolecularWeight: 388.354201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)(C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)OCC

Isomeric SMILES

CCOP(=O)(C(C)(C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)OCC

InChI

InChI=1S/C19H21N2O5P/c1-4-25-27(24,26-5-2)19(3,16-9-7-6-8-10-16)18-12-11-17(21(22)23)13-15(18)14-20/h6-13H,4-5H2,1-3H3