[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC=CC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C19H19NO5/c1-11-9-13(3)16(10-12(11)2)18(21)14(4)25-19(22)15-7-5-6-8-17(15)20(23)24/h5-10,14H,1-4H3/t14-/m0/s1