[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-3-14-4-6-15(7-5-14)19(22)13(2)26-18(21)12-25-17-10-8-16(9-11-17)20(23)24/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1