(3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-pyrrol-1-yl-propan-1-one

Systemtic Name: (3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-pyrrol-1-yl-propan-1-one Openeye Name: (3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-pyrrol-1-yl-propan-1-one CAS Name: (3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-(1-pyrrolyl)-1-propanone IUPAC Name: (3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-pyrrol-1-ylpropan-1-one Traditional Name: (3S)-3-diethoxyphosphoryl-3-(4-nitrophenyl)-1-pyrrol-1-yl-propan-1-one Formula: C17H21N2O6P MolecularWeight: 380.332201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC(=O)N1C=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)([C@@H](CC(=O)N1C=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H21N2O6P/c1-3-24-26(23,25-4-2)16(13-17(20)18-11-5-6-12-18)14-7-9-15(10-8-14)19(21)22/h5-12,16H,3-4,13H2,1-2H3/t16-/m0/s1