methyl (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-pyridin-2-yl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-pyridin-2-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-(2-pyridyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-(2-pyridinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-pyridin-2-ylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3-(4-chlorophenyl)-4-nitro-5-(2-pyridyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(N1)C2=CC=CC=N2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@H]1[C@@H]([C@H]([C@@H](N1)C2=CC=CC=N2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O4/c1-25-17(22)15-13(10-5-7-11(18)8-6-10)16(21(23)24)14(20-15)12-4-2-3-9-19-12/h2-9,13-16,20H,1H3/t13-,14-,15-,16+/m0/s1