2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C27H15N3O6 MolecularWeight: 477.4245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H15N3O6/c31-26-21-12-11-20(35-19-8-4-7-18(14-19)30(33)34)15-22(21)27(32)29(26)17-6-3-5-16(13-17)25-28-23-9-1-2-10-24(23)36-25/h1-15H