1-(2,5-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-20-9-3-4-12(21-2)10(5-9)11(17)6-15-7-13(14-8-15)16(18)19/h3-5,7-8H,6H2,1-2H3