2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione; ethanoic acid

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione; ethanoic acid Openeye Name: acetic acid; 2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindoline-1,3-dione CAS Name: acetic acid; 2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione IUPAC Name: acetic acid; 2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione Traditional Name: acetic acid; 2-[4-(1,3-benzoxazol-2-yl)phenyl]isoindoline-1,3-quinone Formula: C23H16N2O5 MolecularWeight: 400.38354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H12N2O3.C2H4O2/c24-20-15-5-1-2-6-16(15)21(25)23(20)14-11-9-13(10-12-14)19-22-17-7-3-4-8-18(17)26-19;1-2(3)4/h1-12H;1H3,(H,3,4)