5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione

Systemtic Name: 5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindoline-1,3-dione CAS Name: 5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindoline-1,3-quinone Formula: C21H11N3O5 MolecularWeight: 385.32914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O5/c25-20-15-10-5-12(19-22-17-3-1-2-4-18(17)29-19)11-16(15)21(26)23(20)13-6-8-14(9-7-13)24(27)28/h1-11H