2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c25-19-17-6-5-16(29-15-4-1-3-14(11-15)24(27)28)12-18(17)20(26)23(19)9-2-8-22-10-7-21-13-22/h1,3-7,10-13H,2,8-9H2