methyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitro-phenyl)aziridine-2-carboxylate

Systemtic Name: methyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitro-phenyl)aziridine-2-carboxylate Openeye Name: methyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitro-phenyl)aziridine-2-carboxylate CAS Name: (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitrophenyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitrophenyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-3-(4-chlorophenyl)-1-(4-methyl-3-nitro-phenyl)ethylenimine-2-carboxylic acid methyl ester Formula: C17H15ClN2O4 MolecularWeight: 346.765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(C2C(=O)OC)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2[C@@H]([C@H]2C(=O)OC)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O4/c1-10-3-8-13(9-14(10)20(22)23)19-15(16(19)17(21)24-2)11-4-6-12(18)7-5-11/h3-9,15-16H,1-2H3/t15-,16+,19?/m1/s1