5-(6-nitro-1,3-benzoxazol-2-yl)-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(6-nitro-1,3-benzoxazol-2-yl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 5-(6-nitro-1,3-benzoxazol-2-yl)-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-benzyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C22H13N3O5 MolecularWeight: 399.35572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

InChI

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