2-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2-methyl-1-phenyl-5-benzimidazolyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-nitro-isoindoline-1,3-quinone Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O4/c1-13-23-17-12-15(10-11-18(17)24(13)14-6-3-2-4-7-14)25-21(27)16-8-5-9-19(26(29)30)20(16)22(25)28/h2-12H,1H3