2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CN(CCO)CCO)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CN(CCO)CCO)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c27-9-7-23(8-10-28)13-25-18-4-2-1-3-17(18)22-19(25)12-24-20(29)15-6-5-14(26(31)32)11-16(15)21(24)30/h1-6,11,27-28H,7-10,12-13H2