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

Systemtic Name: ethyl (2S,3R)-2-[methyl-(phenylmethyl)amino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: (2S,3R)-3-hydroxy-2-[methyl-(phenylmethyl)amino]-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxy-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxy-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O5/c1-3-26-19(23)17(20(2)13-14-7-5-4-6-8-14)18(22)15-9-11-16(12-10-15)21(24)25/h4-12,17-18,22H,3,13H2,1-2H3/t17-,18+/m0/s1