2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O7/c22-14(11-5-6-15-16(9-11)28-8-2-7-27-15)10-20-18(23)12-3-1-4-13(21(25)26)17(12)19(20)24/h1,3-6,9H,2,7-8,10H2