[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-11-6-7-16(9-18(11)21(24)25)20(23)26-10-19(22)17-8-12(2)13(3)14(4)15(17)5/h6-9H,10H2,1-5H3