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

Systemtic Name: 1-(2-diethoxyphosphoryl-3-nitro-4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one Openeye Name: 1-(2-diethoxyphosphoryl-3-nitro-4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one CAS Name: 1-(2-diethoxyphosphoryl-3-nitro-4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)-1-propanone IUPAC Name: 1-(2-diethoxyphosphoryl-3-nitro-4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one Traditional Name: 1-(5-diethoxyphosphoryl-4-nitro-3-phenyl-1-pyrrolin-2-yl)propan-1-one Formula: C17H23N2O6P MolecularWeight: 382.348081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2O6P/c1-4-13(20)15-14(12-10-8-7-9-11-12)16(19(21)22)17(18-15)26(23,24-5-2)25-6-3/h7-11,14,16-17H,4-6H2,1-3H3