3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethanoyl]-7-nitro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethanoyl]-7-nitro-1H-quinoxalin-2-one Openeye Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-7-nitro-1H-quinoxalin-2-one CAS Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-oxoethyl]-7-nitro-1H-quinoxalin-2-one IUPAC Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyacetyl]-7-nitro-1H-quinoxalin-2-one Traditional Name: 3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-7-nitro-1H-quinoxalin-2-one Formula: C17H11N3O7 MolecularWeight: 369.28514

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O

InChI

InChI=1S/C17H11N3O7/c21-15(8-1-4-12-13(5-8)27-7-26-12)16(22)14-17(23)19-11-6-9(20(24)25)2-3-10(11)18-14/h1-6,15,21H,7H2,(H,19,23)/t15-/m0/s1