[(1S)-1-(3-nitrophenyl)ethyl] 2-(2,4-dimethylphenoxy)ethanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(2,4-dimethylphenoxy)ethanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(2,4-dimethylphenoxy)acetate CAS Name: 2-(2,4-dimethylphenoxy)acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(2,4-dimethylphenoxy)acetate Traditional Name: 2-(2,4-dimethylphenoxy)acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-12-7-8-17(13(2)9-12)23-11-18(20)24-14(3)15-5-4-6-16(10-15)19(21)22/h4-10,14H,11H2,1-3H3/t14-/m0/s1