methyl (2S,3R)-3-(4-chlorophenyl)-2-ethanoyl-1-(phenylcarbonyl)aziridine-2-carboxylate

Systemtic Name: methyl (2S,3R)-3-(4-chlorophenyl)-2-ethanoyl-1-(phenylcarbonyl)aziridine-2-carboxylate Openeye Name: methyl (2S,3R)-2-acetyl-1-benzoyl-3-(4-chlorophenyl)aziridine-2-carboxylate CAS Name: (2S,3R)-2-acetyl-1-benzoyl-3-(4-chlorophenyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-acetyl-1-benzoyl-3-(4-chlorophenyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-2-acetyl-1-benzoyl-3-(4-chlorophenyl)ethylenimine-2-carboxylic acid methyl ester Formula: C19H16ClNO4 MolecularWeight: 357.78764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)[C@@]1([C@H](N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H16ClNO4/c1-12(22)19(18(24)25-2)16(13-8-10-15(20)11-9-13)21(19)17(23)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-,19-,21?/m1/s1