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

Systemtic Name: 2-[[1-(diethylaminomethyl)benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[1-(diethylaminomethyl)benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-(diethylaminomethyl)-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[1-(diethylaminomethyl)benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[1-(diethylaminomethyl)benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CN1C2=CC=CC=C2N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CN1C2=CC=CC=C2N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-3-23(4-2)13-25-18-8-6-5-7-17(18)22-19(25)12-24-20(27)15-10-9-14(26(29)30)11-16(15)21(24)28/h5-11H,3-4,12-13H2,1-2H3