[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O5/c1-13(2,3)15-11(17)7-21-12(18)8-4-5-9(14)10(6-8)16(19)20/h4-6H,7H2,1-3H3,(H,15,17)