[1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] ethanoate

Systemtic Name: [1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] ethanoate Openeye Name: [1-[imidazol-1-yl-(4-nitrophenoxy)methyl]-2,2-dimethyl-propyl] acetate CAS Name: acetic acid [1-(1-imidazolyl)-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] acetate Traditional Name: acetic acid [1-[imidazol-1-yl-(4-nitrophenoxy)methyl]-2,2-dimethyl-propyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(N1C=CN=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(=O)OC(C(N1C=CN=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C17H21N3O5/c1-12(21)24-15(17(2,3)4)16(19-10-9-18-11-19)25-14-7-5-13(6-8-14)20(22)23/h5-11,15-16H,1-4H3