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

Systemtic Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-oxo-3-phenyl-propanoate CAS Name: 2-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-3-oxo-3-phenylpropanoate Traditional Name: 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-4-19-11(3)18-16(20(23)24)14(19)13(17(22)25-5-2)15(21)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3