tert-butyl 3-(1-nitroethyl)benzoate

Systemtic Name: tert-butyl 3-(1-nitroethyl)benzoate Openeye Name: tert-butyl 3-(1-nitroethyl)benzoate CAS Name: 3-(1-nitroethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-nitroethyl)benzoate Traditional Name: 3-(1-nitroethyl)benzoic acid tert-butyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(14(16)17)10-6-5-7-11(8-10)12(15)18-13(2,3)4/h5-9H,1-4H3