2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4,7-dinitro-isoquinolin-1-one

Systemtic Name: 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4,7-dinitro-isoquinolin-1-one Openeye Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,7-dinitro-isoquinolin-1-one CAS Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,7-dinitro-1-isoquinolinone IUPAC Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dinitroisoquinolin-1-one Traditional Name: 2-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4,7-dinitro-isocarbostyril Formula: C14H13N3O8 MolecularWeight: 351.26832

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CO)O

InChI

InChI=1S/C14H13N3O8/c18-6-12-11(19)4-13(25-12)15-5-10(17(23)24)8-2-1-7(16(21)22)3-9(8)14(15)20/h1-3,5,11-13,18-19H,4,6H2/t11-,12+,13+/m0/s1