2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2-ethyl-3-benzofuranyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-3-17-15(13-7-4-5-10-18(13)29-17)11-22(2)12-23-20(25)14-8-6-9-16(24(27)28)19(14)21(23)26/h4-10H,3,11-12H2,1-2H3