[1-(dimethylamino)-3-methoxy-propan-2-yl] 4-nitrobenzoate chloride

Systemtic Name: [1-(dimethylamino)-3-methoxy-propan-2-yl] 4-nitrobenzoate chloride Openeye Name: [1-(dimethylaminomethyl)-2-methoxy-ethyl] 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid [1-(dimethylamino)-3-methoxypropan-2-yl] ester chloride IUPAC Name: [1-(dimethylamino)-3-methoxypropan-2-yl] 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid [1-(dimethylaminomethyl)-2-methoxy-ethyl] ester chloride Formula: C13H18ClN2O5- MolecularWeight: 317.74542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN(C)CC(COC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H18N2O5.ClH/c1-14(2)8-12(9-19-3)20-13(16)10-4-6-11(7-5-10)15(17)18;/h4-7,12H,8-9H2,1-3H3;1H/p-1