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

Systemtic Name: ethyl (2R,3S)-3-[(4-methylphenyl)amino]-3-(4-nitrophenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2R,3S)-2-hydroxy-3-(4-methylanilino)-3-(4-nitrophenyl)propanoate CAS Name: (2R,3S)-2-hydroxy-3-(4-methylanilino)-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-hydroxy-3-(4-methylanilino)-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-2-hydroxy-3-(4-nitrophenyl)-3-(p-toluidino)propionic acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-3-25-18(22)17(21)16(19-14-8-4-12(2)5-9-14)13-6-10-15(11-7-13)20(23)24/h4-11,16-17,19,21H,3H2,1-2H3/t16-,17+/m0/s1