tert-butyl 4-(bromomethyl)-3-nitro-benzoate

Systemtic Name: tert-butyl 4-(bromomethyl)-3-nitro-benzoate Openeye Name: tert-butyl 4-(bromomethyl)-3-nitro-benzoate CAS Name: 4-(bromomethyl)-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(bromomethyl)-3-nitrobenzoate Traditional Name: 4-(bromomethyl)-3-nitro-benzoic acid tert-butyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(15)8-4-5-9(7-13)10(6-8)14(16)17/h4-6H,7H2,1-3H3