[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate CAS Name: 2-diethoxyphosphoryl-3-phenylpropanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-diethoxyphosphoryl-3-phenylpropanoate Traditional Name: 2-diethoxyphosphoryl-3-phenyl-propionic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H24NO8P MolecularWeight: 449.390921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24NO8P/c1-3-29-31(27,30-4-2)20(14-16-8-6-5-7-9-16)21(24)28-15-19(23)17-10-12-18(13-11-17)22(25)26/h5-13,20H,3-4,14-15H2,1-2H3