[(2S)-5-methoxy-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]pyrrolidin-2-yl]methyl ethanoate

Systemtic Name: [(2S)-5-methoxy-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]pyrrolidin-2-yl]methyl ethanoate Openeye Name: [(2S)-5-methoxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]methyl acetate CAS Name: acetic acid [(2S)-5-methoxy-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-5-methoxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]methyl acetate Traditional Name: acetic acid [(2S)-5-methoxy-1-(6-nitropiperonyloyl)pyrrolidin-2-yl]methyl ester Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

Isomeric SMILES

CC(=O)OC[C@@H]1CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

InChI

InChI=1S/C16H18N2O8/c1-9(19)24-7-10-3-4-15(23-2)17(10)16(20)11-5-13-14(26-8-25-13)6-12(11)18(21)22/h5-6,10,15H,3-4,7-8H2,1-2H3/t10-,15?/m0/s1