[(1S)-1-(4-methylphenyl)ethyl] 3-nitrobenzoate

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl] 3-nitrobenzoate Openeye Name: [(1S)-1-(p-tolyl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1S)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1S)-1-(p-tolyl)ethyl] ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-11-6-8-13(9-7-11)12(2)21-16(18)14-4-3-5-15(10-14)17(19)20/h3-10,12H,1-2H3/t12-/m0/s1