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

Systemtic Name: 5-nitro-2-(2-phenyl-3H-benzimidazol-5-yl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(2-phenyl-3H-benzimidazol-5-yl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(2-phenyl-3H-benzimidazol-5-yl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(2-phenyl-3H-benzimidazol-5-yl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(2-phenyl-3H-benzimidazol-5-yl)isoindoline-1,3-quinone Formula: C21H12N4O4 MolecularWeight: 384.34438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O4/c26-20-15-8-6-14(25(28)29)10-16(15)21(27)24(20)13-7-9-17-18(11-13)23-19(22-17)12-4-2-1-3-5-12/h1-11H,(H,22,23)