[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-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)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

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