ethyl (2S,4S,5S)-5-(2-methylphenyl)-4-nitro-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,4S,5S)-5-(2-methylphenyl)-4-nitro-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S,5S)-4-nitro-5-(o-tolyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S,5S)-5-(2-methylphenyl)-4-nitro-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5S)-5-(2-methylphenyl)-4-nitropyrrolidine-2-carboxylate Traditional Name: (2S,4S,5S)-4-nitro-5-(o-tolyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N1)C2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H]([C@@H](N1)C2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-3-20-14(17)11-8-12(16(18)19)13(15-11)10-7-5-4-6-9(10)2/h4-7,11-13,15H,3,8H2,1-2H3/t11-,12-,13-/m0/s1