ethyl (2R)-2-(4-methylphenyl)-3-nitro-2-oxidanyl-propanoate

Systemtic Name: ethyl (2R)-2-(4-methylphenyl)-3-nitro-2-oxidanyl-propanoate Openeye Name: ethyl (2R)-2-hydroxy-3-nitro-2-(p-tolyl)propanoate CAS Name: (2R)-2-hydroxy-2-(4-methylphenyl)-3-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-hydroxy-2-(4-methylphenyl)-3-nitropropanoate Traditional Name: (2R)-2-hydroxy-3-nitro-2-(p-tolyl)propionic acid ethyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-3-18-11(14)12(15,8-13(16)17)10-6-4-9(2)5-7-10/h4-7,15H,3,8H2,1-2H3/t12-/m0/s1