2-bromoethyl methyl [1-(4-nitrophenyl)pyrrolidin-3-yl] phosphate

Systemtic Name: 2-bromoethyl methyl [1-(4-nitrophenyl)pyrrolidin-3-yl] phosphate Openeye Name: 2-bromoethyl methyl [1-(4-nitrophenyl)pyrrolidin-3-yl] phosphate CAS Name: phosphoric acid 2-bromoethyl methyl [1-(4-nitrophenyl)-3-pyrrolidinyl] ester IUPAC Name: 2-bromoethyl methyl [1-(4-nitrophenyl)pyrrolidin-3-yl] phosphate Traditional Name: phosphoric acid 2-bromoethyl methyl [1-(4-nitrophenyl)pyrrolidin-3-yl] ester Formula: C13H18BrN2O6P MolecularWeight: 409.169581

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(OCCBr)OC1CCN(C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COP(=O)(OCCBr)OC1CCN(C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18BrN2O6P/c1-20-23(19,21-9-7-14)22-13-6-8-15(10-13)11-2-4-12(5-3-11)16(17)18/h2-5,13H,6-10H2,1H3