2-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2S)-3-(1-benzotriazolyl)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-quinone Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(CN4C5=CC=CC=C5N=N4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC[C@H](CN4C5=CC=CC=C5N=N4)O

InChI

InChI=1S/C23H18N4O4/c28-16(13-26-21-8-4-3-7-20(21)24-25-26)14-31-17-11-9-15(10-12-17)27-22(29)18-5-1-2-6-19(18)23(27)30/h1-12,16,28H,13-14H2/t16-/m0/s1