(3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitro-pyrrolidine

Systemtic Name: (3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitro-pyrrolidine Openeye Name: (3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitro-pyrrolidine CAS Name: (3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitropyrrolidine IUPAC Name: (3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitropyrrolidine Traditional Name: (3R,4S)-3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitro-pyrrolidine Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C[C@H]([C@@H](C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H14N2O4/c1-13-5-9(10(6-13)14(15)16)8-2-3-11-12(4-8)18-7-17-11/h2-4,9-10H,5-7H2,1H3/t9-,10+/m0/s1