5-aminocarbonyl-3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(4-nitrophenyl)methyl]imidazol-3-ium-4-olate

Systemtic Name: 5-aminocarbonyl-3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(4-nitrophenyl)methyl]imidazol-3-ium-4-olate Openeye Name: 5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(4-nitrophenyl)methyl]imidazol-3-ium-4-olate CAS Name: 5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-[(4-nitrophenyl)methyl]-4-imidazol-3-iumolate IUPAC Name: 5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(4-nitrophenyl)methyl]imidazol-3-ium-4-olate Traditional Name: 5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-(4-nitrobenzyl)imidazol-3-ium-4-olate Formula: C16H18N4O8 MolecularWeight: 394.33612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=[N+](C(=C2C(=O)N)[O-])C3C(C(C(O3)CO)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=[N+](C(=C2C(=O)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O8/c17-14(24)11-15(25)19(16-13(23)12(22)10(6-21)28-16)7-18(11)5-8-1-3-9(4-2-8)20(26)27/h1-4,7,10,12-13,16,21-23H,5-6H2,(H2-,17,24,25)/t10-,12-,13-,16-/m1/s1