3-methyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 3-methyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: 3-methyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-4-oxo-but-2-enoic acid CAS Name: 3-methyl-4-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-4-oxo-2-butenoic acid IUPAC Name: 3-methyl-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-4-oxobut-2-enoic acid Traditional Name: 4-keto-3-methyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]but-2-enoic acid Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C(=CC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C(=CC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-7(5-10(15)16)11(17)20-4-3-13-8(2)12-6-9(13)14(18)19/h5-6H,3-4H2,1-2H3,(H,15,16)