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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-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=C(C=C4)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O6/c19-14-6-10(7-15-16(14)27-5-1-4-26-15)9-20-17(22)12-3-2-11(21(24)25)8-13(12)18(20)23/h2-3,6-8H,1,4-5,9H2