[(2S)-2-(1-ethoxyethoxymethyl)-5-oxidanyl-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone

Systemtic Name: [(2S)-2-(1-ethoxyethoxymethyl)-5-oxidanyl-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone Openeye Name: [(2S)-2-(1-ethoxyethoxymethyl)-5-hydroxy-pyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone CAS Name: [(2S)-2-(1-ethoxyethoxymethyl)-5-hydroxy-1-pyrrolidinyl]-(6-nitro-1,3-benzodioxol-5-yl)methanone IUPAC Name: [(2S)-2-(1-ethoxyethoxymethyl)-5-hydroxypyrrolidin-1-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone Traditional Name: [(2S)-2-(1-ethoxyethoxymethyl)-5-hydroxy-pyrrolidino]-(6-nitro-1,3-benzodioxol-5-yl)methanone Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c1-3-24-10(2)25-8-11-4-5-16(20)18(11)17(21)12-6-14-15(27-9-26-14)7-13(12)19(22)23/h6-7,10-11,16,20H,3-5,8-9H2,1-2H3/t10?,11-,16?/m0/s1