[(1R)-1-phenylethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-11-8-9-14(10-15(11)17(19)20)16(18)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1