methyl (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S,5S)-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O6/c1-25-19(22)17-15(12-7-8-13-14(9-12)27-10-26-13)18(21(23)24)16(20-17)11-5-3-2-4-6-11/h2-9,15-18,20H,10H2,1H3/t15-,16+,17+,18+/m1/s1