[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H20N2O7/c1-10-3-5-18(6-4-10)16(20)11(2)26-17(21)12-7-14-15(25-9-24-14)8-13(12)19(22)23/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m0/s1