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

Systemtic Name: ethyl (2S,3R)-1-butyl-3-(4-nitrophenyl)aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-butyl-3-(4-nitrophenyl)aziridine-2-carboxylate CAS Name: (2S,3R)-1-butyl-3-(4-nitrophenyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-butyl-3-(4-nitrophenyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-1-butyl-3-(4-nitrophenyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1[C@@H]([C@H]1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-3-5-10-16-13(14(16)15(18)21-4-2)11-6-8-12(9-7-11)17(19)20/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+,16?/m1/s1