ethyl (2S,3R)-1-hexyl-3-(4-nitrophenyl)aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-1-hexyl-3-(4-nitrophenyl)aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-hexyl-3-(4-nitrophenyl)aziridine-2-carboxylate CAS Name: (2S,3R)-1-hexyl-3-(4-nitrophenyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-hexyl-3-(4-nitrophenyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-1-hexyl-3-(4-nitrophenyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1[C@@H]([C@H]1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-3-5-6-7-12-18-15(16(18)17(20)23-4-2)13-8-10-14(11-9-13)19(21)22/h8-11,15-16H,3-7,12H2,1-2H3/t15-,16+,18?/m1/s1