[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C19H19NO5/c1-11-8-13(3)17(14(4)9-11)16(21)10-25-19(22)15-7-5-6-12(2)18(15)20(23)24/h5-9H,10H2,1-4H3