2-[(E)-but-2-enyl]-4-(4-imidazol-1-ylphenoxy)isoindole-1,3-dione

Systemtic Name: 2-[(E)-but-2-enyl]-4-(4-imidazol-1-ylphenoxy)isoindole-1,3-dione Openeye Name: 2-[(E)-but-2-enyl]-4-(4-imidazol-1-ylphenoxy)isoindoline-1,3-dione CAS Name: 2-[(E)-but-2-enyl]-4-[4-(1-imidazolyl)phenoxy]isoindole-1,3-dione IUPAC Name: 2-[(E)-but-2-enyl]-4-(4-imidazol-1-ylphenoxy)isoindole-1,3-dione Traditional Name: 2-[(E)-but-2-enyl]-4-(4-imidazol-1-ylphenoxy)isoindoline-1,3-quinone Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C/C=C/CN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H17N3O3/c1-2-3-12-24-20(25)17-5-4-6-18(19(17)21(24)26)27-16-9-7-15(8-10-16)23-13-11-22-14-23/h2-11,13-14H,12H2,1H3/b3-2+