2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5/c25-19-17-7-6-16(29-15-4-2-14(3-5-15)24(27)28)12-18(17)20(26)23(19)10-1-9-22-11-8-21-13-22/h2-8,11-13H,1,9-10H2