methyl (4S,5S)-5-(4-imidazol-1-yl-3-nitro-phenyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: methyl (4S,5S)-5-(4-imidazol-1-yl-3-nitro-phenyl)-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: methyl (4S,5S)-5-(4-imidazol-1-yl-3-nitro-phenyl)-2-oxo-oxazolidine-4-carboxylate CAS Name: (4S,5S)-5-[4-(1-imidazolyl)-3-nitrophenyl]-2-oxo-4-oxazolidinecarboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-5-(4-imidazol-1-yl-3-nitrophenyl)-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: (4S,5S)-5-(4-imidazol-1-yl-3-nitro-phenyl)-2-keto-oxazolidine-4-carboxylic acid methyl ester Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC(=O)N1)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](OC(=O)N1)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6/c1-23-13(19)11-12(24-14(20)16-11)8-2-3-9(10(6-8)18(21)22)17-5-4-15-7-17/h2-7,11-12H,1H3,(H,16,20)/t11-,12-/m0/s1