1-[4-(4-chlorophenyl)-2-diethoxyphosphoryl-3-nitro-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)-2-diethoxyphosphoryl-3-nitro-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one Openeye Name: 1-[4-(4-chlorophenyl)-2-diethoxyphosphoryl-3-nitro-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one CAS Name: 1-[4-(4-chlorophenyl)-2-diethoxyphosphoryl-3-nitro-3,4-dihydro-2H-pyrrol-5-yl]-1-propanone IUPAC Name: 1-[4-(4-chlorophenyl)-2-diethoxyphosphoryl-3-nitro-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-diethoxyphosphoryl-4-nitro-1-pyrrolin-2-yl]propan-1-one Formula: C17H22ClN2O6P MolecularWeight: 416.793141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NC(C(C1C2=CC=C(C=C2)Cl)[N+](=O)[O-])P(=O)(OCC)OCC

Isomeric SMILES

CCC(=O)C1=NC(C(C1C2=CC=C(C=C2)Cl)[N+](=O)[O-])P(=O)(OCC)OCC

InChI

InChI=1S/C17H22ClN2O6P/c1-4-13(21)15-14(11-7-9-12(18)10-8-11)16(20(22)23)17(19-15)27(24,25-5-2)26-6-3/h7-10,14,16-17H,4-6H2,1-3H3