[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O8/c1-12(19(23)20-9-13-6-7-16-17(8-13)28-11-27-16)29-18(22)10-26-15-5-3-2-4-14(15)21(24)25/h2-8,12H,9-11H2,1H3,(H,20,23)/t12-/m0/s1