ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-phenyl-ethanoate Openeye Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-phenyl-acetate CAS Name: 2-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-2-phenylacetate Traditional Name: 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-phenyl-acetic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(C2=CC=CC=C2)C(=O)OCC)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1C(C2=CC=CC=C2)C(=O)OCC)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O4/c1-4-18-11(3)17-15(19(21)22)14(18)13(16(20)23-5-2)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3