tert-butyl 4-[2,5-bis(oxidanyl)phenyl]-3-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[2,5-bis(oxidanyl)phenyl]-3-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-(2,5-dihydroxyphenyl)-3-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dihydroxyphenyl)-3-(4-nitrophenyl)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-dihydroxyphenyl)-3-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dihydroxyphenyl)-4-keto-3-(4-nitrophenyl)butyric acid tert-butyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-20(2,3)28-18(24)11-15(12-4-6-13(7-5-12)21(26)27)19(25)16-10-14(22)8-9-17(16)23/h4-10,15,22-23H,11H2,1-3H3