(E)-2-diethoxyphosphoryl-3-[1-(phenylmethyl)pyrrol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-diethoxyphosphoryl-3-[1-(phenylmethyl)pyrrol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrrol-2-yl)-2-diethoxyphosphoryl-prop-2-enenitrile CAS Name: (E)-2-diethoxyphosphoryl-3-[1-(phenylmethyl)-2-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrrol-2-yl)-2-diethoxyphosphorylprop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrrol-2-yl)-2-diethoxyphosphoryl-acrylonitrile Formula: C18H21N2O3P MolecularWeight: 344.344701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC1=CC=CN1CC2=CC=CC=C2)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C1=CC=CN1CC2=CC=CC=C2)/C#N)OCC

InChI

InChI=1S/C18H21N2O3P/c1-3-22-24(21,23-4-2)18(14-19)13-17-11-8-12-20(17)15-16-9-6-5-7-10-16/h5-13H,3-4,15H2,1-2H3/b18-13+