4-[diethoxyphosphoryl(phenyl)methyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[diethoxyphosphoryl(phenyl)methyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[diethoxyphosphoryl(phenyl)methyl]-3-nitro-benzonitrile CAS Name: 4-[diethoxyphosphoryl(phenyl)methyl]-3-nitrobenzonitrile IUPAC Name: 4-[diethoxyphosphoryl(phenyl)methyl]-3-nitrobenzonitrile Traditional Name: 4-[diethoxyphosphoryl(phenyl)methyl]-3-nitro-benzonitrile Formula: C18H19N2O5P MolecularWeight: 374.327621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2O5P/c1-3-24-26(23,25-4-2)18(15-8-6-5-7-9-15)16-11-10-14(13-19)12-17(16)20(21)22/h5-12,18H,3-4H2,1-2H3