ethyl (2R,3S)-3-[(4-chlorophenyl)amino]-2-methyl-3-(4-nitrophenyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2R,3S)-3-[(4-chlorophenyl)amino]-2-methyl-3-(4-nitrophenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2R,3S)-3-(4-chloroanilino)-2-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate CAS Name: (2R,3S)-3-(4-chloroanilino)-2-hydroxy-2-methyl-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(4-chloroanilino)-2-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-3-(4-chloroanilino)-2-hydroxy-2-methyl-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCOC(=O)[C@@](C)([C@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C18H19ClN2O5/c1-3-26-17(22)18(2,23)16(20-14-8-6-13(19)7-9-14)12-4-10-15(11-5-12)21(24)25/h4-11,16,20,23H,3H2,1-2H3/t16-,18+/m0/s1