[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H19NO6/c1-4-25-15-10-8-14(9-11-15)18(21)13(3)26-19(22)16-6-5-7-17(12(16)2)20(23)24/h5-11,13H,4H2,1-3H3/t13-/m0/s1