[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]-[5-methoxy-2-nitro-4-(oxiran-2-ylmethoxy)phenyl]methanone

Systemtic Name: [(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]-[5-methoxy-2-nitro-4-(oxiran-2-ylmethoxy)phenyl]methanone Openeye Name: [(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]-[5-methoxy-2-nitro-4-(oxiran-2-ylmethoxy)phenyl]methanone CAS Name: [(2S)-2-(dimethoxymethyl)-1-pyrrolidinyl]-[5-methoxy-2-nitro-4-(2-oxiranylmethoxy)phenyl]methanone IUPAC Name: [(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]-[5-methoxy-2-nitro-4-(oxiran-2-ylmethoxy)phenyl]methanone Traditional Name: [(2S)-2-(dimethoxymethyl)pyrrolidino]-(4-glycidoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2C(OC)OC)[N+](=O)[O-])OCC3CO3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2C(OC)OC)[N+](=O)[O-])OCC3CO3

InChI

InChI=1S/C18H24N2O8/c1-24-15-7-12(14(20(22)23)8-16(15)28-10-11-9-27-11)17(21)19-6-4-5-13(19)18(25-2)26-3/h7-8,11,13,18H,4-6,9-10H2,1-3H3/t11?,13-/m0/s1