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

Systemtic Name: ethyl (E)-3-ethoxy-2-(3-methyl-5-nitro-imidazol-4-yl)carbonyl-3-oxidanyl-prop-2-enoate Openeye Name: ethyl (E)-3-ethoxy-3-hydroxy-2-(3-methyl-5-nitro-imidazole-4-carbonyl)prop-2-enoate CAS Name: (E)-3-ethoxy-3-hydroxy-2-[(3-methyl-5-nitro-4-imidazolyl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-ethoxy-3-hydroxy-2-(3-methyl-5-nitroimidazole-4-carbonyl)prop-2-enoate Traditional Name: (E)-3-ethoxy-3-hydroxy-2-(3-methyl-5-nitro-imidazole-4-carbonyl)acrylic acid ethyl ester Formula: C12H15N3O7 MolecularWeight: 313.2634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=C(N=CN1C)[N+](=O)[O-])C(=O)OCC)O

Isomeric SMILES

CCO/C(=C(\C(=O)C1=C(N=CN1C)[N+](=O)[O-])/C(=O)OCC)/O

InChI

InChI=1S/C12H15N3O7/c1-4-21-11(17)7(12(18)22-5-2)9(16)8-10(15(19)20)13-6-14(8)3/h6,17H,4-5H2,1-3H3/b11-7+