[(1S)-2-(diethylamino)-1-phenyl-ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-2-(diethylamino)-1-phenyl-ethyl] 4-nitrobenzoate Openeye Name: [(1S)-2-(diethylamino)-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-2-(diethylamino)-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-(diethylamino)-1-phenyl-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C[C@H](C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O4/c1-3-20(4-2)14-18(15-8-6-5-7-9-15)25-19(22)16-10-12-17(13-11-16)21(23)24/h5-13,18H,3-4,14H2,1-2H3/t18-/m1/s1