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

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C28H15N3O6 MolecularWeight: 489.4352

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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)C(=O)C6=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)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H15N3O6/c32-25(16-5-3-8-20(13-16)31(35)36)17-11-12-21-22(15-17)28(34)30(27(21)33)19-7-4-6-18(14-19)26-29-23-9-1-2-10-24(23)37-26/h1-15H