ethyl (2S,3R)-2-methyl-4-nitro-3-phenyl-butanoate

Systemtic Name: ethyl (2S,3R)-2-methyl-4-nitro-3-phenyl-butanoate Openeye Name: ethyl (2S,3R)-2-methyl-4-nitro-3-phenyl-butanoate CAS Name: (2S,3R)-2-methyl-4-nitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-methyl-4-nitro-3-phenylbutanoate Traditional Name: (2S,3R)-2-methyl-4-nitro-3-phenyl-butyric acid ethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-18-13(15)10(2)12(9-14(16)17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12+/m0/s1