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

Systemtic Name: ethyl (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)carbonyl-3-oxidanyl-prop-2-enoate Openeye Name: ethyl (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazole-4-carbonyl)-3-hydroxy-prop-2-enoate CAS Name: (E)-3-ethoxy-2-[(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-oxomethyl]-3-hydroxy-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitroimidazole-4-carbonyl)-3-hydroxyprop-2-enoate Traditional Name: (E)-3-ethoxy-2-(3-ethyl-2-methyl-5-nitro-imidazole-4-carbonyl)-3-hydroxy-acrylic acid ethyl ester Formula: C14H19N3O7 MolecularWeight: 341.31656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7/c1-5-16-8(4)15-12(17(21)22)10(16)11(18)9(13(19)23-6-2)14(20)24-7-3/h19H,5-7H2,1-4H3/b13-9+