[(1S)-1-(4-methylphenyl)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [(1S)-1-(p-tolyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(1S)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1S)-1-(p-tolyl)ethyl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-11-4-6-14(7-5-11)13(3)22-17(19)15-8-9-16(18(20)21)12(2)10-15/h4-10,13H,1-3H3/t13-/m0/s1