2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O6/c18-11-4-9(15-10(5-11)7-25-8-26-15)6-19-16(21)12-2-1-3-13(20(23)24)14(12)17(19)22/h1-5H,6-8H2