2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C18H13ClN2O6/c19-12-7-10(8-14-16(12)27-6-2-5-26-14)9-20-17(22)11-3-1-4-13(21(24)25)15(11)18(20)23/h1,3-4,7-8H,2,5-6,9H2