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

Systemtic Name: [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H16N2O7/c1-11(18(22)20-7-6-12-4-2-3-5-14(12)20)28-19(23)13-8-16-17(27-10-26-16)9-15(13)21(24)25/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m0/s1