2-[[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-nitro-1,3-benzoxazol-2-yl)benzyl]isoindoline-1,3-quinone Formula: C22H13N3O5 MolecularWeight: 399.35572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5/c26-21-16-3-1-2-4-17(16)22(27)24(21)12-13-5-7-14(8-6-13)20-23-18-11-15(25(28)29)9-10-19(18)30-20/h1-11H,12H2