[1-(diethylamino)-3,4-dimethoxy-butan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-(diethylamino)-3,4-dimethoxy-butan-2-yl] 4-nitrobenzoate Openeye Name: [1-(diethylaminomethyl)-2,3-dimethoxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(diethylamino)-3,4-dimethoxybutan-2-yl] ester IUPAC Name: [1-(diethylamino)-3,4-dimethoxybutan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(diethylaminomethyl)-2,3-dimethoxy-propyl] ester Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C(COC)OC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(C(COC)OC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O6/c1-5-18(6-2)11-15(16(24-4)12-23-3)25-17(20)13-7-9-14(10-8-13)19(21)22/h7-10,15-16H,5-6,11-12H2,1-4H3