diethyl (3R,4R,5S)-3-butyl-4-methanoyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylate

Systemtic Name: diethyl (3R,4R,5S)-3-butyl-4-methanoyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylate Openeye Name: diethyl (3R,4R,5S)-3-butyl-4-formyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylate CAS Name: (3R,4R,5S)-3-butyl-4-formyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,4R,5S)-3-butyl-4-formyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylate Traditional Name: (3R,4R,5S)-3-butyl-4-formyl-5-(4-nitrophenyl)pyrrolidine-2,2-dicarboxylic acid diethyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(NC1(C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@H](NC1(C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C21H28N2O7/c1-4-7-8-17-16(13-24)18(14-9-11-15(12-10-14)23(27)28)22-21(17,19(25)29-5-2)20(26)30-6-3/h9-13,16-18,22H,4-8H2,1-3H3/t16-,17-,18-/m1/s1