[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C18H24N2O7/c1-11-6-5-7-12(2)19(11)17(21)10-27-18(22)13-8-15(25-3)16(26-4)9-14(13)20(23)24/h8-9,11-12H,5-7,10H2,1-4H3/t11-,12-/m0/s1