2-butyl-5-imidazol-1-yl-4-(4-nitrophenyl)isoindole-1,3-dione

Systemtic Name: 2-butyl-5-imidazol-1-yl-4-(4-nitrophenyl)isoindole-1,3-dione Openeye Name: 2-butyl-5-imidazol-1-yl-4-(4-nitrophenyl)isoindoline-1,3-dione CAS Name: 2-butyl-5-(1-imidazolyl)-4-(4-nitrophenyl)isoindole-1,3-dione IUPAC Name: 2-butyl-5-imidazol-1-yl-4-(4-nitrophenyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-imidazol-1-yl-4-(4-nitrophenyl)isoindoline-1,3-quinone Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C(=C(C=C2)N3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C(=C(C=C2)N3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4/c1-2-3-11-24-20(26)16-8-9-17(23-12-10-22-13-23)18(19(16)21(24)27)14-4-6-15(7-5-14)25(28)29/h4-10,12-13H,2-3,11H2,1H3