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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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