tert-butyl 2-[2-(2-nitrophenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[2-(2-nitrophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[2-(2-nitrophenyl)ethyl]-3-oxo-butanoate CAS Name: 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate Traditional Name: 3-keto-2-[2-(2-nitrophenyl)ethyl]butyric acid tert-butyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO5/c1-11(18)13(15(19)22-16(2,3)4)10-9-12-7-5-6-8-14(12)17(20)21/h5-8,13H,9-10H2,1-4H3