methyl 3-(1-methyl-4-nitro-imidazol-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-(1-methyl-4-nitro-imidazol-2-yl)-2-oxidanylidene-propanoate Openeye Name: methyl 3-(1-methyl-4-nitro-imidazol-2-yl)-2-oxo-propanoate CAS Name: 3-(1-methyl-4-nitro-2-imidazolyl)-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(1-methyl-4-nitroimidazol-2-yl)-2-oxopropanoate Traditional Name: 2-keto-3-(1-methyl-4-nitro-imidazol-2-yl)propionic acid methyl ester Formula: C8H9N3O5 MolecularWeight: 227.17416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1CC(=O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1CC(=O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O5/c1-10-4-7(11(14)15)9-6(10)3-5(12)8(13)16-2/h4H,3H2,1-2H3