tert-butyl 4-(2-nitrophenyl)-2-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-(2-nitrophenyl)-2-oxidanylidene-butanoate Openeye Name: tert-butyl 4-(2-nitrophenyl)-2-oxo-butanoate CAS Name: 4-(2-nitrophenyl)-2-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-nitrophenyl)-2-oxobutanoate Traditional Name: 2-keto-4-(2-nitrophenyl)butyric acid tert-butyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(2,3)20-13(17)12(16)9-8-10-6-4-5-7-11(10)15(18)19/h4-7H,8-9H2,1-3H3