tert-butyl 2-methyl-2-[(4-nitrophenoxy)methyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-methyl-2-[(4-nitrophenoxy)methyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-methyl-2-[(4-nitrophenoxy)methyl]-3-oxo-butanoate CAS Name: 2-methyl-2-[(4-nitrophenoxy)methyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-[(4-nitrophenoxy)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-methyl-2-[(4-nitrophenoxy)methyl]butyric acid tert-butyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(COC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(C)(COC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO6/c1-11(18)16(5,14(19)23-15(2,3)4)10-22-13-8-6-12(7-9-13)17(20)21/h6-9H,10H2,1-5H3