[(2R)-1-(4-tert-butylphenoxy)-3-(2-nitroimidazol-1-yl)propan-2-yl] N-(2-bromanylethanoyl)carbamate

Systemtic Name: [(2R)-1-(4-tert-butylphenoxy)-3-(2-nitroimidazol-1-yl)propan-2-yl] N-(2-bromanylethanoyl)carbamate Openeye Name: [(1R)-1-[(4-tert-butylphenoxy)methyl]-2-(2-nitroimidazol-1-yl)ethyl] N-(2-bromoacetyl)carbamate CAS Name: N-(2-bromo-1-oxoethyl)carbamic acid [(2R)-1-(4-tert-butylphenoxy)-3-(2-nitro-1-imidazolyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenoxy)-3-(2-nitroimidazol-1-yl)propan-2-yl] N-(2-bromoacetyl)carbamate Traditional Name: N-(2-bromoacetyl)carbamic acid [(1R)-1-[(4-tert-butylphenoxy)methyl]-2-(2-nitroimidazol-1-yl)ethyl] ester Formula: C19H23BrN4O6 MolecularWeight: 483.31312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C=CN=C2[N+](=O)[O-])OC(=O)NC(=O)CBr

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@@H](CN2C=CN=C2[N+](=O)[O-])OC(=O)NC(=O)CBr

InChI

InChI=1S/C19H23BrN4O6/c1-19(2,3)13-4-6-14(7-5-13)29-12-15(30-18(26)22-16(25)10-20)11-23-9-8-21-17(23)24(27)28/h4-9,15H,10-12H2,1-3H3,(H,22,25,26)/t15-/m1/s1