(E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)carbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)carbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazole-4-carbonyl)-3-hydroxy-prop-2-enenitrile CAS Name: (E)-3-ethoxy-2-[(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-oxomethyl]-3-hydroxy-2-propenenitrile IUPAC Name: (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitroimidazole-4-carbonyl)-3-hydroxyprop-2-enenitrile Traditional Name: (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazole-4-carbonyl)-3-hydroxy-acrylonitrile Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=NC(=C1C(=O)/C(=C(\O)/OCC)/C#N)[N+](=O)[O-])C

InChI

InChI=1S/C12H14N4O5/c1-4-15-7(3)14-11(16(19)20)9(15)10(17)8(6-13)12(18)21-5-2/h18H,4-5H2,1-3H3/b12-8+