[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-20(2,3)15-10-9-13(11-16(15)21(24)25)19(23)27-12-17(22)14-7-5-6-8-18(14)26-4/h5-11H,12H2,1-4H3