[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-13-11-15(7-10-17(13)21(24)25)19(23)26-12-18(22)14-5-8-16(9-6-14)20(2,3)4/h5-11H,12H2,1-4H3