[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CC(CC(C2)C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2C[C@H](C[C@@H](C2)C)C

InChI

InChI=1S/C20H29N3O5/c1-5-21(6-2)18-8-7-16(23(26)27)10-17(18)20(25)28-13-19(24)22-11-14(3)9-15(4)12-22/h7-8,10,14-15H,5-6,9,11-13H2,1-4H3/t14-,15-/m0/s1