[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-12-8-9-13(2)15(10-12)19(22)14(3)26-18(21)11-25-17-7-5-4-6-16(17)20(23)24/h4-10,14H,11H2,1-3H3/t14-/m0/s1