2-(1,3-benzodioxol-5-yl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-morpholino-6-nitro-isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(4-morpholinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-morpholino-6-nitro-isoindoline-1,3-quinone Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c23-18-12-8-14(20-3-5-27-6-4-20)15(22(25)26)9-13(12)19(24)21(18)11-1-2-16-17(7-11)29-10-28-16/h1-2,7-9H,3-6,10H2