[2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] ethanoate

Systemtic Name: [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] ethanoate Openeye Name: [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] acetate CAS Name: acetic acid [2-(4-nitro-1-imidazolyl)-2-phenylethyl] ester IUPAC Name: [2-(4-nitroimidazol-1-yl)-2-phenylethyl] acetate Traditional Name: acetic acid [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] ester Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC(C1=CC=CC=C1)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-10(17)20-8-12(11-5-3-2-4-6-11)15-7-13(14-9-15)16(18)19/h2-7,9,12H,8H2,1H3