triethyl (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate

Systemtic Name: triethyl (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate Openeye Name: triethyl (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate CAS Name: (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate Traditional Name: (3R,5R)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylic acid triethyl ester Formula: C23H26N4O8 MolecularWeight: 486.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(C(N(N1C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1N([C@H](N(N1C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O8/c1-4-33-21(28)20-24(17-10-8-7-9-11-17)19(16-12-14-18(15-13-16)27(31)32)25(22(29)34-5-2)26(20)23(30)35-6-3/h7-15,19-20H,4-6H2,1-3H3/t19-,20-/m1/s1