[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c1-22(2,3)17-10-16(11-18(13-17)23(4,5)6)21(26)29-14-20(25)15-8-7-9-19(12-15)24(27)28/h7-13H,14H2,1-6H3