(2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonyl]proline Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCCC1C(=O)O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(COC(=O)N1CCC[C@H]1C(=O)O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H18N2O8/c1-9(7-24-16(21)17-4-2-3-11(17)15(19)20)10-5-13-14(26-8-25-13)6-12(10)18(22)23/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)/t9?,11-/m0/s1